Mohamed Said | University of Sadat City (original) (raw)
Papers by Mohamed Said
Metabolites 2023, 13, 162., 2023
Cancer is the leading cause of death globally, with an increasing number of cases being annually ... more Cancer is the leading cause of death globally, with an increasing number of cases being annually reported. Nature-derived metabolites have been widely studied for their potential programmed necrosis, cytotoxicity, and anti-proliferation leading to enrichment for the modern medicine, particularly within the last couple of decades. At a more rapid pace, the concept of multi-target agents has evolved from being an innovative approach into a regular drug development procedure for hampering the multi-fashioned pathophysiology and high-resistance nature of cancer cells. With the advent of the Red Sea Penicillium chrysogenum strain S003-isolated indole-based alkaloids, we thoroughly investigated the molecular aspects for three major metabolites: meleagrin (MEL), roquefortine C (ROC), and isoroquefortine C (ISO) against three cancer-associated biological targets Cdc-25A, PTP-1B, and c-Met kinase. The study presented, for the first time, the detailed molecular insights and near-physiological affinity for these marine indole alkaloids against the assign targets through molecular docking-coupled all-atom dynamic simulation analysis. Findings highlighted the superiority of MEL’s binding affinity/stability being quite in concordance with the in vitro anticancer activity profile conducted via sulforhodamine B bioassay on different cancerous cell lines reaching down to low micromolar or even nanomolar potencies. The advent of lengthy structural topologies via the metabolites’ extended tetracyclic cores and aromatic imidazole arm permitted multi-pocket accommodation addressing the selectivity concerns. Additionally, the presence decorating polar functionalities on the core hydrophobic tetracyclic ring contributed compound’s pharmacodynamic preferentiality. Introducing ionizable functionality with more lipophilic characters was highlighted to improve binding affinities which was also in concordance with the conducted drug-likeness/pharmacokinetic profiling for obtaining a balanced pharmacokinetic/dynamic profile. Our study adds to the knowledge regarding drug development and optimization of marine-isolated indole-based alkaloids for future iterative synthesis and pre-clinical investigations as multi-target anticancer agents.
Scientific Reports, Jul 22, 2022
Heliotropium is a genus of the Boraginaceae family. Its members are used in many traditional and ... more Heliotropium is a genus of the Boraginaceae family. Its members are used in many traditional and folklore medicines to treat several ailments. Despite this widespread usage, only a few evidencebased scientific studies investigated and identified its phytoconstituents. Herein, we documented the chemical profile of the Heliotropium ramosissimum methanolic extract using gas chromatographymass spectrometry (GC-MS) and liquid chromatography-tandem mass spectrometry (LC-ESI-MS/ MS) and assessed its antioxidant and cytotoxic effects. The methanolic extract exhibited high phenolic content (179.74 ± 0.58 µg/mL) and high flavonoid content (53.18 ± 0.60 µg/mL). The GC-MS analysis of the lipoidal matter allowed us to identify 41 compounds with high percentages of 1,2-benzenedicarboxylic acid, bis(2-methoxyethyl) ester (23.91%), and 6,10,14-trimethylpentadecan-2-one (18.74%). Thirty-two phytomolecules were tentatively identified from the methanolic extract of H. ramosissimum using LC-MS/MS. These compounds belonged to several phytochemical classes such as phenolic acids, alkaloids, coumarins, and flavonoids. Furthermore, we assessed the antioxidant activity of the methanolic extract by DPPH assay and oxygen radical absorbance capacity assay, which yielded IC 50 values of 414.30 µg/mL and 170.03 ± 44.40 µM TE/equivalent, respectively. We also assessed the cytotoxicity of the methanolic extract on seven different cell lines; Colo-205, A-375, HeLa, HepG-2, H-460, and OEC showed that it selectively killed cancer cells with particularly potent cytotoxicity against Colo-205 without affecting normal cells. Further studies revealed that the extract induced apoptosis and/or necrosis on Colo-205 cell line at an IC 50 of 18.60 µg/mL. Finally, we conducted molecular docking on the LC-ESI-MS/MS-identified compounds against colon cancer antigen 10 to find potentially cytotoxic compounds. Binding score energy analysis showed that isochlorogenic acid and orientin had the highest affinity for the colon cancer antigen 10 protein, with binding scores of (− 13.2001) and (− 13.5655) kcal/mol, respectively. These findings suggest that Heliotropium ramosissimum contains potent therapeutic candidates for colorectal cancer treatment. Abbreviations A-375 Human melanoma cell line AlCl 3 Aluminum chloride Colo-205 Colorectal cancer cell line DPPH 2,2-Diphenyl-1-picrylhydrazyl GAE Gallic acid equivalents GC-MS Gas chromatography-mass spectrometry H-460 Large cell lung cancer cell line HeLa Cervical cancer cell line HepG-2 Hepatocellular carcinoma cell line LC-ESI-MS/MS Liquid chromatography-electrospray ionization-mass spectrometry
Arabian Journal of Chemistry, 2022
Scientific Reports, 2022
Heliotropium is a genus of the Boraginaceae family. Its members are used in many traditional and ... more Heliotropium is a genus of the Boraginaceae family. Its members are used in many traditional and folklore medicines to treat several ailments. Despite this widespread usage, only a few evidencebased scientific studies investigated and identified its phytoconstituents. Herein, we documented the chemical profile of the Heliotropium ramosissimum methanolic extract using gas chromatographymass spectrometry (GC-MS) and liquid chromatography-tandem mass spectrometry (LC-ESI-MS/ MS) and assessed its antioxidant and cytotoxic effects. The methanolic extract exhibited high phenolic content (179.74 ± 0.58 µg/mL) and high flavonoid content (53.18 ± 0.60 µg/mL). The GC-MS analysis of the lipoidal matter allowed us to identify 41 compounds with high percentages of 1,2-benzenedicarboxylic acid, bis(2-methoxyethyl) ester (23.91%), and 6,10,14-trimethylpentadecan-2-one (18.74%). Thirty-two phytomolecules were tentatively identified from the methanolic extract of H. ramosissimum using LC-MS/MS. These compounds belonged to several phytochemical classes such as phenolic acids, alkaloids, coumarins, and flavonoids. Furthermore, we assessed the antioxidant activity of the methanolic extract by DPPH assay and oxygen radical absorbance capacity assay, which yielded IC 50 values of 414.30 µg/mL and 170.03 ± 44.40 µM TE/equivalent, respectively. We also assessed the cytotoxicity of the methanolic extract on seven different cell lines; Colo-205, A-375, HeLa, HepG-2, H-460, and OEC showed that it selectively killed cancer cells with particularly potent cytotoxicity against Colo-205 without affecting normal cells. Further studies revealed that the extract induced apoptosis and/or necrosis on Colo-205 cell line at an IC 50 of 18.60 µg/mL. Finally, we conducted molecular docking on the LC-ESI-MS/MS-identified compounds against colon cancer antigen 10 to find potentially cytotoxic compounds. Binding score energy analysis showed that isochlorogenic acid and orientin had the highest affinity for the colon cancer antigen 10 protein, with binding scores of (− 13.2001) and (− 13.5655) kcal/mol, respectively. These findings suggest that Heliotropium ramosissimum contains potent therapeutic candidates for colorectal cancer treatment.
Molecules
The genus Cotula (Asteraceae) comprises about 80 species, amongst them Cotula anthemoides L. It i... more The genus Cotula (Asteraceae) comprises about 80 species, amongst them Cotula anthemoides L. It is a wild plant growing in Egypt that possesses many traditional uses as a headache, colic, and chest cold remedy. In our study, the chemical composition of C. anthemoides essential oils was analyzed using GC-MS spectroscopy. Sixteen components of leave and stem oils and thirteen components of flower oils were characterized. The main components in both essential oil parts were camphor (88.79% and 86.45%) and trans-thujone (5.14% and 10.40%) in the leaves and stems and the flowers, respectively. The anti-inflammatory activity of the oils in lipopolysaccharide-stimulated RAW 264.7 macrophage cells was evaluated. The flower oil showed its predominant effect in the amelioration of proinflammatory cytokines and tumor necrosis factor-α, as well as cyclooxygenase-2. The bornyl acetate showed the highest affinity for the cyclooxygenase-2 receptor, while compound cis-p-menth-2-ene-1-ol had the bes...
Heliyon
p38 MAPK plays many roles in human disease pathophysiology. Therefore, great therapeutic benefits... more p38 MAPK plays many roles in human disease pathophysiology. Therefore, great therapeutic benefits can be attained from p38 MAPK inhibitors. Several ginsenosides showed to possess great therapeutic potentials mediated by its ability to downregulate p38 MAPK signaling. in silico studies were conducted to explore the binding of these ginsenosides to p38 MAPK and evidenced the promising their inhibitory effect.
Universal Journal of Pharmaceutical Research
Coronavirus pneumonia disease (COVID-19) is a newly identified coronavirus strain that causes sym... more Coronavirus pneumonia disease (COVID-19) is a newly identified coronavirus strain that causes symptoms ranging from cold-like signs to deaths that reached millions around the world. Until this time, there is no approved vaccine has been invented for clinical use, therefore, developing an effective program for therapy is of high priority to save the lives of patients and protect others from being infected. Nature resembles a huge reservoir of anti-infectious compounds, from which innovative ideas, therapies, and products can be deduced. Chinese herbal medicine had succeeded in the treatment of other coronavirus pneumonia such as SARS, MERS and, H7N9 avian influenza which gives us hope to find the targeted remedy in the traditionally used natural herbs consumed by natives from different regions. This work aims to highlight the use of natural traditional remedies to treat viral pneumonia. This systematic review will include studies of the effects of traditional herbal medicine and its ...
Universal Journal of Pharmaceutical Research, 2020
Coronavirus pneumonia disease (COVID-19) is a newly identified coronavirus strain that causes sym... more Coronavirus pneumonia disease (COVID-19) is a newly identified coronavirus strain that causes symptoms ranging from cold-like signs to deaths that reached millions around the world. Until this time, there is no approved vaccine has been invented for clinical use, therefore, developing an effective program for therapy is of high priority to save the lives of patients and protect others from being infected. Nature resembles a huge reservoir of anti-infectious compounds, from which innovative ideas, therapies, and products can be deduced. Chinese herbal medicine had succeeded in the treatment of other coronavirus pneumonia such as SARS, MERS and, H7N9 avian influenza which gives us hope to find the targeted remedy in the traditionally used natural herbs consumed by natives from different regions. This work aims to highlight the use of natural traditional remedies to treat viral pneumonia. This systematic review will include studies of the effects of traditional herbal medicine and its role in the treatment of COVID-19 pneumonia. Although promising results were obtained in many cases, but, only a few studies reported the fractional characterization of bioactive principles and/or mechanisms of action. It is requested that pharmaceutical industries, government agencies, and the scientific community will have a gaze at some of these plants for future research and, to find a potential drug candidates for the development of anti-SARSCoV-2 therapeutics in the near future.
MDPI, 2022
The genus Cotula (Asteraceae) comprises about 80 species, amongst them Cotula anthemoides L. It i... more The genus Cotula (Asteraceae) comprises about 80 species, amongst them Cotula anthemoides L. It is a wild plant growing in Egypt that possesses many traditional uses as a headache, colic, and chest cold remedy. In our study, the chemical composition of C. anthemoides essential oils was analyzed using GC-MS spectroscopy. Sixteen components of leave and stem oils and thirteen components of flower oils were characterized. The main components in both essential oil parts were camphor (88.79% and 86.45%) and trans-thujone (5.14% and 10.40%) in the leaves and stems and the flowers, respectively. The anti-inflammatory activity of the oils in lipopolysaccharide-stimulated RAW 264.7 macrophage cells was evaluated. The flower oil showed its predominant effect in the amelioration of proinflammatory cytokines and tumor necrosis factor-α, as well as cyclooxygenase-2. The bornyl acetate showed the highest affinity for the cyclooxygenase-2 receptor, while compound cis-p-menth-2-ene-1-ol had the best affinity for the tumor necrosis factor receptor, according to the results of molecular docking. In addition, the molecule cis-β-farnesene showed promising dual affinity for both studied receptors. Our findings show that essential oils from C. anthemoides have anti-inflammatory properties through their control over the generation of inflammatory mediators. These findings suggest that C. anthemoides essential oils could lead to the discovery of novel sources of anti-inflammatory treatments.
Objective: The present investigation deals with evaluation of hepatoprotective and antioxidant ac... more Objective: The present investigation deals with evaluation of hepatoprotective and antioxidant activity of total methanol extract and different fractions of Odontonema cuspidatum on the CCl4 induced hepatotoxicity. Material and methods: Albino Wister rats weighing (140±20 g) of either sex were divided into seven groups (n=8). Hepatotoxicity was induced by CCl4 dissolved in olive oil (1:1, 2 ml/kg bw, S.c). Silymarin (100mg/kg) orally was used as standard drug. Test groups received total methanol extract and different fractions (aqueous, n-butanol and n-hexane fractions) of Odontonema cuspidatum aerial part in a dose of 400 mg/kg/day orally along with CCl4. Treatment was given to all the tested groups daily for 5 days. The hepatoprotective effect of Odontonema cuspidatum was evaluated by assessment of biochemical parameters [(AST), (ALT), (ALP) and total bilirubin] and the antioxidant activity in the liver tissue was estimated by measuring the activities of antioxidant enzymes: reduc...
Journal of Pharmaceutical Sciences and Research, 2015
Odontonema cuspidatum (Nees) Kuntze is commonly known as cardinal’s guard, mottled toothedthread ... more Odontonema cuspidatum (Nees) Kuntze is commonly known as cardinal’s guard, mottled toothedthread and fire spike. It is a
perennial shrub belonging to family Acanthaceae. It is native to Mexico and widely cultivated in tropical and subtropical areas
as an ornamental plant for its attractive red flowers. The present investigation attempts to study the Pharmacognostical
features of the aerial parts (leaf, stem and flower) of Odontonema cuspidatum (Nees) Kuntze. Pharmacognostical evaluation
includes macroscopic, microscopy (for leaf, stem and flower) and surface preparation (for leaf and stem). This study will be
useful in establishing Pharmacognostical standard measure which helps in identification and classification of the plant
Japan Institute of Heterocyclic Chemistry, 2019
Phytochemical investigation of Anisacanthus virgularis aerial parts resulted in isolation of a ne... more Phytochemical investigation of Anisacanthus virgularis aerial parts resulted in isolation of a new iridoid glucoside named as 7-O-p-trans-coumaroyl caryoptoside (1) together with two known iridoids, caryoptoside (2) and lamalbide (3). Their structures were elucidated by spectroscopic methods including 1D and 2D-NMR techniques. The isolated compounds together with the MeOH and aqueous extracts of the plant were investigated for their antiamoebic activity in vitro. The micro dilution technique was employed to investigate antiamoebic activity against Entamoeba histolytica HM1-SS strain. The results showed that the MeOH extract had good inhibition along 72 hours followed by the aqueous extract at concentration of 15 mg/mL. The compounds 1-3 showed good inhibition growth percent 72.2%, 50.1% and 52.6% after 24 hours of incubation at a concentration of 4 μM, respectively compared to the standard antiamoebic drug, Metronidazole.
Phytochemistry Letters, 2017
Two new iridoid glycosides, named 6β-O-methyl-unedoside (1) and 6β-O-methyl-5-deoxythunbergioside... more Two new iridoid glycosides, named 6β-O-methyl-unedoside (1) and 6β-O-methyl-5-deoxythunbergioside (2)
along with two known phenyl propanoid glucoside compounds dolichandroside A (3) and verbascoside (4) were
isolated from the aerial parts of Odontonema cuspidatum (Nees) Kuntze (Acanthaceae). Structure elucidation of
the new compounds was established by interpretation of their 1D and 2D-NMR spectral data by comparing with
literatures, HRESIMS and optical activity measurement. The isolated compounds were tested for their in vitro
antimicrobial and antimalarial activities. Compound 4 showed a moderate antimicrobial activity against E. coli
with IC50 value of 17.5 μM in comparing with Vancomycin and Cefotaxime.
Universal Journal of Pharmaceutical Research, 2020
Coronavirus pneumonia disease (COVID-19) is a newly identified coronavirus strain that causes sym... more Coronavirus pneumonia disease (COVID-19) is a newly identified coronavirus strain that causes symptoms ranging from cold-like signs to deaths that reached millions around the world. Until this time, there is no approved vaccine has been invented for clinical use, therefore, developing an effective program for therapy is of high priority to save the lives of patients and protect others from being infected. Nature resembles a huge reservoir of anti-infectious compounds, from which innovative ideas, therapies, and products can be deduced. Chinese herbal medicine had succeeded in the treatment of other coronavirus pneumonia such as SARS, MERS and, H7N9 avian influenza which gives us hope to find the targeted remedy in the traditionally used natural herbs consumed by natives from different regions. This work aims to highlight the use of natural traditional remedies to treat viral pneumonia. This systematic review will include studies of the effects of traditional herbal medicine and its role in the treatment of COVID-19 pneumonia. Although promising results were obtained in many cases, but, only a few studies reported the fractional characterization of bioactive principles and/or mechanisms of action. It is requested that pharmaceutical industries, government agencies, and the scientific community will have a gaze at some of these plants for future research and, to find a potential drug candidates for the development of anti-SARSCoV-2 therapeutics in the near future.
Elsevier, 2021
Acetylcholinesterase (AChE) inhibitor and telomerase reverse transcriptase (TERT) potentiator phy... more Acetylcholinesterase (AChE) inhibitor and telomerase reverse transcriptase (TERT) potentiator phytochemicals
are highly targeted as anti-Alzheimerꞌs disease and as an anti-ageing process. A phytochemical study of Thunbergia
erecta aerial parts resulted in the isolation of ten compounds (1–10). Their structures were identified based
on spectral data and comparison with literature values. The activity of our pure isolates on AChE and TERT
enzymes by documented in vitro assay methods were evaluated. The results indicated that apigenin (2), vanillic
acid (4), and acacetin-7-O-β-D-glucoside (7) exhibited potent inhibition of AChE (IC50 37.33, 30.80 and 49.57
ng/mL, respectively), compared to the standard drug donepezil (IC50 31.25 ng/mL). In the TERT enzyme assay,
compound 7 triggered a 1.66‑fold increase in telomerase activity at the concentration of 2.85 ng/ml. This is the
first study that demonstrates that compound 7 isolated from T. erecta can lead to such telomerase activity relative
to control cells. Virtual screening studies including docking, rapid overlay chemical structure (ROCS), and
calculated structure–property relationships (SPR) were implemented in this work. Molecular docking studies
supported the binding of compounds 2, 4, and 7 through hydrogen bonds (HBs) formation to essential amino acid
residues namely ARG:24 A, SER:347 A, LYS:51 A, PHE:346 A, and GLY:345 A of acetylcholinesterase. ROCS and
SPR analyses realized compound 2 as a possible treatment of Alzheimer’s disease and as a lead compound for
drug development process through applying semisynthetic modifications.
elsevier, 2021
The p38 mitogen-activated protein kinases (p38 MAPK) is a 38kD polypeptide recognized as the targ... more The p38 mitogen-activated protein kinases (p38 MAPK) is a 38kD polypeptide recognized as the target for many potential anti-inflammatory agents. Accumulating evidence indicates that p38 MAPK could perform many roles in human disease pathophysiology. Therefore, great therapeutic benefits can be attained from p38 MAPK inhibitors. Ginseng is an exceptionally valued medicinal plant of the family Araliaceae (Panax genus). Recently, several studies targeted the therapeutic effects of purified individual ginsenoside, the most significant active ingredient of ginseng, and studied its particular molecular mechanism(s) of action rather than whole-plant extracts. Interestingly, several ginsenosides: ginsenosides compound K, F1, Rb1, Rb3, Rc, Rd, Re, Rf, Rg1, Rg2, Rg3, Rg5, Rh1, Rh2, Ro, notoginsenoside R1, and protopanaxadiol have shown to possess great therapeutic potentials mediated by their ability to downregulate p38 MAPK signaling in different cell lines and experimental animal models. Our review compiles the research findings of various ginsenosides as potent anti-inflammatory agents, highlighting the crucial role of p38 MAPK suppression in their pharmacological actions. In addition, in silico studies were conducted to explore the probable binding of these ginsenosides to p38 MAPK. The results obtained proposed p38 MAPK involvement in the beneficial pharmacological activities of ginsenosides in different ailments.
Books by Mohamed Said
In book: Medical Informatics and Bioimaging Using Artificial Intelligence, 2022
COVID-19 is the most critical aspect that all countries worldwide are trying to overcome. All the... more COVID-19 is the most critical aspect that all countries worldwide are trying to overcome. All the institutions in all the fields are trying to tackle the COVID-19 different effects and treatment in depth. Finding the most effective medication or vaccination is the only refuge to get back to normal life before reaching an economic crisis that can never be handled. All medicines have impact factors that tell if this medicine is effective in curing certain diseases. In this paper, we studied the effectiveness of different COVID-19 medicines to detect the effectiveness of new drugs in curing the new Coronavirus. Another goal of this paper is to find the most dominant descriptor of the studied medicines. For this reason, different sets of descriptors have been tested. According to the conducted experiments, the lowest prediction error of 18.9856 was optimized SVM with PUK kernel. Moreover, it was found that the most powerful feature that can best represent the COVID-19 drugs is the number of rings, then the Number of NHA, the number of Chiral centers, and the number of rotatable bonds come next. These findings will help medicinal chemists design and repurpose new drugs that alleviate SARS-CoV-2.
Metabolites 2023, 13, 162., 2023
Cancer is the leading cause of death globally, with an increasing number of cases being annually ... more Cancer is the leading cause of death globally, with an increasing number of cases being annually reported. Nature-derived metabolites have been widely studied for their potential programmed necrosis, cytotoxicity, and anti-proliferation leading to enrichment for the modern medicine, particularly within the last couple of decades. At a more rapid pace, the concept of multi-target agents has evolved from being an innovative approach into a regular drug development procedure for hampering the multi-fashioned pathophysiology and high-resistance nature of cancer cells. With the advent of the Red Sea Penicillium chrysogenum strain S003-isolated indole-based alkaloids, we thoroughly investigated the molecular aspects for three major metabolites: meleagrin (MEL), roquefortine C (ROC), and isoroquefortine C (ISO) against three cancer-associated biological targets Cdc-25A, PTP-1B, and c-Met kinase. The study presented, for the first time, the detailed molecular insights and near-physiological affinity for these marine indole alkaloids against the assign targets through molecular docking-coupled all-atom dynamic simulation analysis. Findings highlighted the superiority of MEL’s binding affinity/stability being quite in concordance with the in vitro anticancer activity profile conducted via sulforhodamine B bioassay on different cancerous cell lines reaching down to low micromolar or even nanomolar potencies. The advent of lengthy structural topologies via the metabolites’ extended tetracyclic cores and aromatic imidazole arm permitted multi-pocket accommodation addressing the selectivity concerns. Additionally, the presence decorating polar functionalities on the core hydrophobic tetracyclic ring contributed compound’s pharmacodynamic preferentiality. Introducing ionizable functionality with more lipophilic characters was highlighted to improve binding affinities which was also in concordance with the conducted drug-likeness/pharmacokinetic profiling for obtaining a balanced pharmacokinetic/dynamic profile. Our study adds to the knowledge regarding drug development and optimization of marine-isolated indole-based alkaloids for future iterative synthesis and pre-clinical investigations as multi-target anticancer agents.
Scientific Reports, Jul 22, 2022
Heliotropium is a genus of the Boraginaceae family. Its members are used in many traditional and ... more Heliotropium is a genus of the Boraginaceae family. Its members are used in many traditional and folklore medicines to treat several ailments. Despite this widespread usage, only a few evidencebased scientific studies investigated and identified its phytoconstituents. Herein, we documented the chemical profile of the Heliotropium ramosissimum methanolic extract using gas chromatographymass spectrometry (GC-MS) and liquid chromatography-tandem mass spectrometry (LC-ESI-MS/ MS) and assessed its antioxidant and cytotoxic effects. The methanolic extract exhibited high phenolic content (179.74 ± 0.58 µg/mL) and high flavonoid content (53.18 ± 0.60 µg/mL). The GC-MS analysis of the lipoidal matter allowed us to identify 41 compounds with high percentages of 1,2-benzenedicarboxylic acid, bis(2-methoxyethyl) ester (23.91%), and 6,10,14-trimethylpentadecan-2-one (18.74%). Thirty-two phytomolecules were tentatively identified from the methanolic extract of H. ramosissimum using LC-MS/MS. These compounds belonged to several phytochemical classes such as phenolic acids, alkaloids, coumarins, and flavonoids. Furthermore, we assessed the antioxidant activity of the methanolic extract by DPPH assay and oxygen radical absorbance capacity assay, which yielded IC 50 values of 414.30 µg/mL and 170.03 ± 44.40 µM TE/equivalent, respectively. We also assessed the cytotoxicity of the methanolic extract on seven different cell lines; Colo-205, A-375, HeLa, HepG-2, H-460, and OEC showed that it selectively killed cancer cells with particularly potent cytotoxicity against Colo-205 without affecting normal cells. Further studies revealed that the extract induced apoptosis and/or necrosis on Colo-205 cell line at an IC 50 of 18.60 µg/mL. Finally, we conducted molecular docking on the LC-ESI-MS/MS-identified compounds against colon cancer antigen 10 to find potentially cytotoxic compounds. Binding score energy analysis showed that isochlorogenic acid and orientin had the highest affinity for the colon cancer antigen 10 protein, with binding scores of (− 13.2001) and (− 13.5655) kcal/mol, respectively. These findings suggest that Heliotropium ramosissimum contains potent therapeutic candidates for colorectal cancer treatment. Abbreviations A-375 Human melanoma cell line AlCl 3 Aluminum chloride Colo-205 Colorectal cancer cell line DPPH 2,2-Diphenyl-1-picrylhydrazyl GAE Gallic acid equivalents GC-MS Gas chromatography-mass spectrometry H-460 Large cell lung cancer cell line HeLa Cervical cancer cell line HepG-2 Hepatocellular carcinoma cell line LC-ESI-MS/MS Liquid chromatography-electrospray ionization-mass spectrometry
Arabian Journal of Chemistry, 2022
Scientific Reports, 2022
Heliotropium is a genus of the Boraginaceae family. Its members are used in many traditional and ... more Heliotropium is a genus of the Boraginaceae family. Its members are used in many traditional and folklore medicines to treat several ailments. Despite this widespread usage, only a few evidencebased scientific studies investigated and identified its phytoconstituents. Herein, we documented the chemical profile of the Heliotropium ramosissimum methanolic extract using gas chromatographymass spectrometry (GC-MS) and liquid chromatography-tandem mass spectrometry (LC-ESI-MS/ MS) and assessed its antioxidant and cytotoxic effects. The methanolic extract exhibited high phenolic content (179.74 ± 0.58 µg/mL) and high flavonoid content (53.18 ± 0.60 µg/mL). The GC-MS analysis of the lipoidal matter allowed us to identify 41 compounds with high percentages of 1,2-benzenedicarboxylic acid, bis(2-methoxyethyl) ester (23.91%), and 6,10,14-trimethylpentadecan-2-one (18.74%). Thirty-two phytomolecules were tentatively identified from the methanolic extract of H. ramosissimum using LC-MS/MS. These compounds belonged to several phytochemical classes such as phenolic acids, alkaloids, coumarins, and flavonoids. Furthermore, we assessed the antioxidant activity of the methanolic extract by DPPH assay and oxygen radical absorbance capacity assay, which yielded IC 50 values of 414.30 µg/mL and 170.03 ± 44.40 µM TE/equivalent, respectively. We also assessed the cytotoxicity of the methanolic extract on seven different cell lines; Colo-205, A-375, HeLa, HepG-2, H-460, and OEC showed that it selectively killed cancer cells with particularly potent cytotoxicity against Colo-205 without affecting normal cells. Further studies revealed that the extract induced apoptosis and/or necrosis on Colo-205 cell line at an IC 50 of 18.60 µg/mL. Finally, we conducted molecular docking on the LC-ESI-MS/MS-identified compounds against colon cancer antigen 10 to find potentially cytotoxic compounds. Binding score energy analysis showed that isochlorogenic acid and orientin had the highest affinity for the colon cancer antigen 10 protein, with binding scores of (− 13.2001) and (− 13.5655) kcal/mol, respectively. These findings suggest that Heliotropium ramosissimum contains potent therapeutic candidates for colorectal cancer treatment.
Molecules
The genus Cotula (Asteraceae) comprises about 80 species, amongst them Cotula anthemoides L. It i... more The genus Cotula (Asteraceae) comprises about 80 species, amongst them Cotula anthemoides L. It is a wild plant growing in Egypt that possesses many traditional uses as a headache, colic, and chest cold remedy. In our study, the chemical composition of C. anthemoides essential oils was analyzed using GC-MS spectroscopy. Sixteen components of leave and stem oils and thirteen components of flower oils were characterized. The main components in both essential oil parts were camphor (88.79% and 86.45%) and trans-thujone (5.14% and 10.40%) in the leaves and stems and the flowers, respectively. The anti-inflammatory activity of the oils in lipopolysaccharide-stimulated RAW 264.7 macrophage cells was evaluated. The flower oil showed its predominant effect in the amelioration of proinflammatory cytokines and tumor necrosis factor-α, as well as cyclooxygenase-2. The bornyl acetate showed the highest affinity for the cyclooxygenase-2 receptor, while compound cis-p-menth-2-ene-1-ol had the bes...
Heliyon
p38 MAPK plays many roles in human disease pathophysiology. Therefore, great therapeutic benefits... more p38 MAPK plays many roles in human disease pathophysiology. Therefore, great therapeutic benefits can be attained from p38 MAPK inhibitors. Several ginsenosides showed to possess great therapeutic potentials mediated by its ability to downregulate p38 MAPK signaling. in silico studies were conducted to explore the binding of these ginsenosides to p38 MAPK and evidenced the promising their inhibitory effect.
Universal Journal of Pharmaceutical Research
Coronavirus pneumonia disease (COVID-19) is a newly identified coronavirus strain that causes sym... more Coronavirus pneumonia disease (COVID-19) is a newly identified coronavirus strain that causes symptoms ranging from cold-like signs to deaths that reached millions around the world. Until this time, there is no approved vaccine has been invented for clinical use, therefore, developing an effective program for therapy is of high priority to save the lives of patients and protect others from being infected. Nature resembles a huge reservoir of anti-infectious compounds, from which innovative ideas, therapies, and products can be deduced. Chinese herbal medicine had succeeded in the treatment of other coronavirus pneumonia such as SARS, MERS and, H7N9 avian influenza which gives us hope to find the targeted remedy in the traditionally used natural herbs consumed by natives from different regions. This work aims to highlight the use of natural traditional remedies to treat viral pneumonia. This systematic review will include studies of the effects of traditional herbal medicine and its ...
Universal Journal of Pharmaceutical Research, 2020
Coronavirus pneumonia disease (COVID-19) is a newly identified coronavirus strain that causes sym... more Coronavirus pneumonia disease (COVID-19) is a newly identified coronavirus strain that causes symptoms ranging from cold-like signs to deaths that reached millions around the world. Until this time, there is no approved vaccine has been invented for clinical use, therefore, developing an effective program for therapy is of high priority to save the lives of patients and protect others from being infected. Nature resembles a huge reservoir of anti-infectious compounds, from which innovative ideas, therapies, and products can be deduced. Chinese herbal medicine had succeeded in the treatment of other coronavirus pneumonia such as SARS, MERS and, H7N9 avian influenza which gives us hope to find the targeted remedy in the traditionally used natural herbs consumed by natives from different regions. This work aims to highlight the use of natural traditional remedies to treat viral pneumonia. This systematic review will include studies of the effects of traditional herbal medicine and its role in the treatment of COVID-19 pneumonia. Although promising results were obtained in many cases, but, only a few studies reported the fractional characterization of bioactive principles and/or mechanisms of action. It is requested that pharmaceutical industries, government agencies, and the scientific community will have a gaze at some of these plants for future research and, to find a potential drug candidates for the development of anti-SARSCoV-2 therapeutics in the near future.
MDPI, 2022
The genus Cotula (Asteraceae) comprises about 80 species, amongst them Cotula anthemoides L. It i... more The genus Cotula (Asteraceae) comprises about 80 species, amongst them Cotula anthemoides L. It is a wild plant growing in Egypt that possesses many traditional uses as a headache, colic, and chest cold remedy. In our study, the chemical composition of C. anthemoides essential oils was analyzed using GC-MS spectroscopy. Sixteen components of leave and stem oils and thirteen components of flower oils were characterized. The main components in both essential oil parts were camphor (88.79% and 86.45%) and trans-thujone (5.14% and 10.40%) in the leaves and stems and the flowers, respectively. The anti-inflammatory activity of the oils in lipopolysaccharide-stimulated RAW 264.7 macrophage cells was evaluated. The flower oil showed its predominant effect in the amelioration of proinflammatory cytokines and tumor necrosis factor-α, as well as cyclooxygenase-2. The bornyl acetate showed the highest affinity for the cyclooxygenase-2 receptor, while compound cis-p-menth-2-ene-1-ol had the best affinity for the tumor necrosis factor receptor, according to the results of molecular docking. In addition, the molecule cis-β-farnesene showed promising dual affinity for both studied receptors. Our findings show that essential oils from C. anthemoides have anti-inflammatory properties through their control over the generation of inflammatory mediators. These findings suggest that C. anthemoides essential oils could lead to the discovery of novel sources of anti-inflammatory treatments.
Objective: The present investigation deals with evaluation of hepatoprotective and antioxidant ac... more Objective: The present investigation deals with evaluation of hepatoprotective and antioxidant activity of total methanol extract and different fractions of Odontonema cuspidatum on the CCl4 induced hepatotoxicity. Material and methods: Albino Wister rats weighing (140±20 g) of either sex were divided into seven groups (n=8). Hepatotoxicity was induced by CCl4 dissolved in olive oil (1:1, 2 ml/kg bw, S.c). Silymarin (100mg/kg) orally was used as standard drug. Test groups received total methanol extract and different fractions (aqueous, n-butanol and n-hexane fractions) of Odontonema cuspidatum aerial part in a dose of 400 mg/kg/day orally along with CCl4. Treatment was given to all the tested groups daily for 5 days. The hepatoprotective effect of Odontonema cuspidatum was evaluated by assessment of biochemical parameters [(AST), (ALT), (ALP) and total bilirubin] and the antioxidant activity in the liver tissue was estimated by measuring the activities of antioxidant enzymes: reduc...
Journal of Pharmaceutical Sciences and Research, 2015
Odontonema cuspidatum (Nees) Kuntze is commonly known as cardinal’s guard, mottled toothedthread ... more Odontonema cuspidatum (Nees) Kuntze is commonly known as cardinal’s guard, mottled toothedthread and fire spike. It is a
perennial shrub belonging to family Acanthaceae. It is native to Mexico and widely cultivated in tropical and subtropical areas
as an ornamental plant for its attractive red flowers. The present investigation attempts to study the Pharmacognostical
features of the aerial parts (leaf, stem and flower) of Odontonema cuspidatum (Nees) Kuntze. Pharmacognostical evaluation
includes macroscopic, microscopy (for leaf, stem and flower) and surface preparation (for leaf and stem). This study will be
useful in establishing Pharmacognostical standard measure which helps in identification and classification of the plant
Japan Institute of Heterocyclic Chemistry, 2019
Phytochemical investigation of Anisacanthus virgularis aerial parts resulted in isolation of a ne... more Phytochemical investigation of Anisacanthus virgularis aerial parts resulted in isolation of a new iridoid glucoside named as 7-O-p-trans-coumaroyl caryoptoside (1) together with two known iridoids, caryoptoside (2) and lamalbide (3). Their structures were elucidated by spectroscopic methods including 1D and 2D-NMR techniques. The isolated compounds together with the MeOH and aqueous extracts of the plant were investigated for their antiamoebic activity in vitro. The micro dilution technique was employed to investigate antiamoebic activity against Entamoeba histolytica HM1-SS strain. The results showed that the MeOH extract had good inhibition along 72 hours followed by the aqueous extract at concentration of 15 mg/mL. The compounds 1-3 showed good inhibition growth percent 72.2%, 50.1% and 52.6% after 24 hours of incubation at a concentration of 4 μM, respectively compared to the standard antiamoebic drug, Metronidazole.
Phytochemistry Letters, 2017
Two new iridoid glycosides, named 6β-O-methyl-unedoside (1) and 6β-O-methyl-5-deoxythunbergioside... more Two new iridoid glycosides, named 6β-O-methyl-unedoside (1) and 6β-O-methyl-5-deoxythunbergioside (2)
along with two known phenyl propanoid glucoside compounds dolichandroside A (3) and verbascoside (4) were
isolated from the aerial parts of Odontonema cuspidatum (Nees) Kuntze (Acanthaceae). Structure elucidation of
the new compounds was established by interpretation of their 1D and 2D-NMR spectral data by comparing with
literatures, HRESIMS and optical activity measurement. The isolated compounds were tested for their in vitro
antimicrobial and antimalarial activities. Compound 4 showed a moderate antimicrobial activity against E. coli
with IC50 value of 17.5 μM in comparing with Vancomycin and Cefotaxime.
Universal Journal of Pharmaceutical Research, 2020
Coronavirus pneumonia disease (COVID-19) is a newly identified coronavirus strain that causes sym... more Coronavirus pneumonia disease (COVID-19) is a newly identified coronavirus strain that causes symptoms ranging from cold-like signs to deaths that reached millions around the world. Until this time, there is no approved vaccine has been invented for clinical use, therefore, developing an effective program for therapy is of high priority to save the lives of patients and protect others from being infected. Nature resembles a huge reservoir of anti-infectious compounds, from which innovative ideas, therapies, and products can be deduced. Chinese herbal medicine had succeeded in the treatment of other coronavirus pneumonia such as SARS, MERS and, H7N9 avian influenza which gives us hope to find the targeted remedy in the traditionally used natural herbs consumed by natives from different regions. This work aims to highlight the use of natural traditional remedies to treat viral pneumonia. This systematic review will include studies of the effects of traditional herbal medicine and its role in the treatment of COVID-19 pneumonia. Although promising results were obtained in many cases, but, only a few studies reported the fractional characterization of bioactive principles and/or mechanisms of action. It is requested that pharmaceutical industries, government agencies, and the scientific community will have a gaze at some of these plants for future research and, to find a potential drug candidates for the development of anti-SARSCoV-2 therapeutics in the near future.
Elsevier, 2021
Acetylcholinesterase (AChE) inhibitor and telomerase reverse transcriptase (TERT) potentiator phy... more Acetylcholinesterase (AChE) inhibitor and telomerase reverse transcriptase (TERT) potentiator phytochemicals
are highly targeted as anti-Alzheimerꞌs disease and as an anti-ageing process. A phytochemical study of Thunbergia
erecta aerial parts resulted in the isolation of ten compounds (1–10). Their structures were identified based
on spectral data and comparison with literature values. The activity of our pure isolates on AChE and TERT
enzymes by documented in vitro assay methods were evaluated. The results indicated that apigenin (2), vanillic
acid (4), and acacetin-7-O-β-D-glucoside (7) exhibited potent inhibition of AChE (IC50 37.33, 30.80 and 49.57
ng/mL, respectively), compared to the standard drug donepezil (IC50 31.25 ng/mL). In the TERT enzyme assay,
compound 7 triggered a 1.66‑fold increase in telomerase activity at the concentration of 2.85 ng/ml. This is the
first study that demonstrates that compound 7 isolated from T. erecta can lead to such telomerase activity relative
to control cells. Virtual screening studies including docking, rapid overlay chemical structure (ROCS), and
calculated structure–property relationships (SPR) were implemented in this work. Molecular docking studies
supported the binding of compounds 2, 4, and 7 through hydrogen bonds (HBs) formation to essential amino acid
residues namely ARG:24 A, SER:347 A, LYS:51 A, PHE:346 A, and GLY:345 A of acetylcholinesterase. ROCS and
SPR analyses realized compound 2 as a possible treatment of Alzheimer’s disease and as a lead compound for
drug development process through applying semisynthetic modifications.
elsevier, 2021
The p38 mitogen-activated protein kinases (p38 MAPK) is a 38kD polypeptide recognized as the targ... more The p38 mitogen-activated protein kinases (p38 MAPK) is a 38kD polypeptide recognized as the target for many potential anti-inflammatory agents. Accumulating evidence indicates that p38 MAPK could perform many roles in human disease pathophysiology. Therefore, great therapeutic benefits can be attained from p38 MAPK inhibitors. Ginseng is an exceptionally valued medicinal plant of the family Araliaceae (Panax genus). Recently, several studies targeted the therapeutic effects of purified individual ginsenoside, the most significant active ingredient of ginseng, and studied its particular molecular mechanism(s) of action rather than whole-plant extracts. Interestingly, several ginsenosides: ginsenosides compound K, F1, Rb1, Rb3, Rc, Rd, Re, Rf, Rg1, Rg2, Rg3, Rg5, Rh1, Rh2, Ro, notoginsenoside R1, and protopanaxadiol have shown to possess great therapeutic potentials mediated by their ability to downregulate p38 MAPK signaling in different cell lines and experimental animal models. Our review compiles the research findings of various ginsenosides as potent anti-inflammatory agents, highlighting the crucial role of p38 MAPK suppression in their pharmacological actions. In addition, in silico studies were conducted to explore the probable binding of these ginsenosides to p38 MAPK. The results obtained proposed p38 MAPK involvement in the beneficial pharmacological activities of ginsenosides in different ailments.
In book: Medical Informatics and Bioimaging Using Artificial Intelligence, 2022
COVID-19 is the most critical aspect that all countries worldwide are trying to overcome. All the... more COVID-19 is the most critical aspect that all countries worldwide are trying to overcome. All the institutions in all the fields are trying to tackle the COVID-19 different effects and treatment in depth. Finding the most effective medication or vaccination is the only refuge to get back to normal life before reaching an economic crisis that can never be handled. All medicines have impact factors that tell if this medicine is effective in curing certain diseases. In this paper, we studied the effectiveness of different COVID-19 medicines to detect the effectiveness of new drugs in curing the new Coronavirus. Another goal of this paper is to find the most dominant descriptor of the studied medicines. For this reason, different sets of descriptors have been tested. According to the conducted experiments, the lowest prediction error of 18.9856 was optimized SVM with PUK kernel. Moreover, it was found that the most powerful feature that can best represent the COVID-19 drugs is the number of rings, then the Number of NHA, the number of Chiral centers, and the number of rotatable bonds come next. These findings will help medicinal chemists design and repurpose new drugs that alleviate SARS-CoV-2.