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Molecules
Essential oils are naturally occurring multicomponent combinations of isoprenoids with distinctiv... more Essential oils are naturally occurring multicomponent combinations of isoprenoids with distinctive odors that are produced by aromatic plants from mevalonic acid. They are extensively applied in aromatherapy for the treatment of various ailments. To investigate the potential therapeutic value of the ingredients in Launaea mucronata essential oil (EO), gas chromatography–mass spectrometry (GC-MS) analysis was used for essential oil characterization. Then, 2,2-diphenyl-1-picrylhydrazyl (DPPH), β-carotene/linoleic acid, and 2,2′-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS) assays were used to evaluate the antioxidants. A 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl-2H-tetrazolium bromide (MTT) assay was used to estimate the cytotoxicity. Following a thorough analysis of the GC-MS chromatogram, 87 components representing 97.98% of the entire EO mixture were identified. N-eicosane (10.92%), 2E,6Z-farnesol (10.74%), and 2Z,6E-farnesyl acetone (46.35%) were determined to be the ma...
Computational Biology and Chemistry, Aug 1, 2023
Journal of Biomolecular Structure & Dynamics, Jan 20, 2023
Journal of Molecular Structure, Oct 1, 2022
Pharmaceuticals, Mar 20, 2023
Journal of Biomolecular Structure and Dynamics
Pharmaceuticals
COVID-19 infection is now considered one of the leading causes of human death. As an attempt towa... more COVID-19 infection is now considered one of the leading causes of human death. As an attempt towards the discovery of novel medications for the COVID-19 pandemic, nineteen novel compounds containing 1,2,3-triazole side chains linked to phenylpyrazolone scaffold and terminal lipophilic aryl parts with prominent substituent functionalities were designed and synthesized via a click reaction based on our previous work. The novel compounds were assessed using an in vitro effect on the growth of SARS-CoV-2 virus-infested Vero cells with different compound concentrations: 1 and 10 μM. The data revealed that most of these derivatives showed potent cellular anti-COVID-19 activity and inhibited viral replication by more than 50% with no or weak cytotoxic effect on harboring cells. In addition, in vitro assay employing the SARS-CoV-2-Main protease inhibition assay was done to test the inhibitors’ ability to block the common primary protease of the SARS-CoV-2 virus as a mode of action. The obta...
BENTHAM SCIENCE PUBLISHERS eBooks, Dec 1, 2022
Antibiotics, Nov 23, 2022
Pharmaceuticals
In this study new sulphamethoxazole derivatives (S1–S4, S6–S12, and S14–S22) were designed and sy... more In this study new sulphamethoxazole derivatives (S1–S4, S6–S12, and S14–S22) were designed and synthesized and their structures were fully characterized and validated using NMR, mass, and IR spectroscopy, as well as elemental analyses. All new derivatives (S1–S22) were assayed against human carbonic anhydrase (hCAs IX and XII) for their inhibitory activities. hCAs IX and XII were chosen due to the fact that CAIX expression is recognized as a hypoxia marker with a poor prognosis in breast cancer. When compared to Dorzolamide HCl as a standard reference, derivatives S2, S3, S8, S9, and S15 had the most effective inhibition with low IC50 values. The active compounds were further evaluated against hCAs I and II inhibitory activity and compounds S8, S9 and S15 showed the least inhibitory effect compared to the reference standard, acetazolamide, indicating that their effect in normal cells is the lowest. Cell viability tests for the selected compounds were carried out on MCF7 (normoxia an...
Journal of Molecular Structure
Bassia eriophora (Schrad.) Asch. is one of the major and widely distributed wild plants belonging... more Bassia eriophora (Schrad.) Asch. is one of the major and widely distributed wild plants belonging to family Chenopodiaceae and growing in northern Saudi Arabia. In this study, Phytochemical and biological evaluations of the ethanolic extract of B. eriophora have been studied. Six known compounds were isolated; Quercetin (1), Quercetin 7-O-b-D-glucoside (2), Isorhamnetin 3-O-b-D-glucoside (3), Tetradecane (4), Pentacosanol (5) and Pheophytin a (6). Structure elucidation of the isolated compounds was carried out based on different spectroscopic techniques (1H and DEPTQ- NMR, UV and Mass spectrometry) as well as by comparison with authentic samples whenever possible. Acute toxicity, analgesic, anti-inflammatory and skeletal muscle relaxant effects were tested for the ethanolic extract of the plant. The results indicated that the ethanolic extract of B. eriophora has a very low toxicity (LD50 of 33.4 g/kg). Additionally, the ethanolic extract in doses of 500 and 750 mg/kg showed signifi...
Antibiotics, 2021
SARS-CoV-2 (COVID-19), a novel coronavirus causing life-threatening pneumonia, caused a pandemic ... more SARS-CoV-2 (COVID-19), a novel coronavirus causing life-threatening pneumonia, caused a pandemic starting in 2019 and caused unprecedented economic and health crises all over the globe. This requires the rapid discovery of anti-SARS-CoV-2 drug candidates to overcome this life-threatening pandemic. Strawberry (Fragaria ananassa Duch.) and ginger (Zingiber officinale) methanolic extracts were used for silver nanoparticle (AgNPs) synthesis to explore their SARS-CoV-2 inhibitory potential. Moreover, an in silico study was performed to explore the possible chemical compounds that might be responsible for the anti-SARS-CoV-2 potential. The characterization of the green synthesized AgNPs was carried out with transmission electron microscope (TEM), Fourier-transform infrared, spectroscopy ultraviolet-visible spectroscopy, zeta potential, and a dynamic light-scattering technique. The metabolic profiling of strawberry and ginger methanolic extract was assessed using liquid chromatography coup...
Journal of Drug Delivery Science and Technology, 2021
Pharmacognosy Journal, 2021
Records of Natural Products, 2019
Molecules
Essential oils are naturally occurring multicomponent combinations of isoprenoids with distinctiv... more Essential oils are naturally occurring multicomponent combinations of isoprenoids with distinctive odors that are produced by aromatic plants from mevalonic acid. They are extensively applied in aromatherapy for the treatment of various ailments. To investigate the potential therapeutic value of the ingredients in Launaea mucronata essential oil (EO), gas chromatography–mass spectrometry (GC-MS) analysis was used for essential oil characterization. Then, 2,2-diphenyl-1-picrylhydrazyl (DPPH), β-carotene/linoleic acid, and 2,2′-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS) assays were used to evaluate the antioxidants. A 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl-2H-tetrazolium bromide (MTT) assay was used to estimate the cytotoxicity. Following a thorough analysis of the GC-MS chromatogram, 87 components representing 97.98% of the entire EO mixture were identified. N-eicosane (10.92%), 2E,6Z-farnesol (10.74%), and 2Z,6E-farnesyl acetone (46.35%) were determined to be the ma...
Computational Biology and Chemistry, Aug 1, 2023
Journal of Biomolecular Structure & Dynamics, Jan 20, 2023
Journal of Molecular Structure, Oct 1, 2022
Pharmaceuticals, Mar 20, 2023
Journal of Biomolecular Structure and Dynamics
Pharmaceuticals
COVID-19 infection is now considered one of the leading causes of human death. As an attempt towa... more COVID-19 infection is now considered one of the leading causes of human death. As an attempt towards the discovery of novel medications for the COVID-19 pandemic, nineteen novel compounds containing 1,2,3-triazole side chains linked to phenylpyrazolone scaffold and terminal lipophilic aryl parts with prominent substituent functionalities were designed and synthesized via a click reaction based on our previous work. The novel compounds were assessed using an in vitro effect on the growth of SARS-CoV-2 virus-infested Vero cells with different compound concentrations: 1 and 10 μM. The data revealed that most of these derivatives showed potent cellular anti-COVID-19 activity and inhibited viral replication by more than 50% with no or weak cytotoxic effect on harboring cells. In addition, in vitro assay employing the SARS-CoV-2-Main protease inhibition assay was done to test the inhibitors’ ability to block the common primary protease of the SARS-CoV-2 virus as a mode of action. The obta...
BENTHAM SCIENCE PUBLISHERS eBooks, Dec 1, 2022
Antibiotics, Nov 23, 2022
Pharmaceuticals
In this study new sulphamethoxazole derivatives (S1–S4, S6–S12, and S14–S22) were designed and sy... more In this study new sulphamethoxazole derivatives (S1–S4, S6–S12, and S14–S22) were designed and synthesized and their structures were fully characterized and validated using NMR, mass, and IR spectroscopy, as well as elemental analyses. All new derivatives (S1–S22) were assayed against human carbonic anhydrase (hCAs IX and XII) for their inhibitory activities. hCAs IX and XII were chosen due to the fact that CAIX expression is recognized as a hypoxia marker with a poor prognosis in breast cancer. When compared to Dorzolamide HCl as a standard reference, derivatives S2, S3, S8, S9, and S15 had the most effective inhibition with low IC50 values. The active compounds were further evaluated against hCAs I and II inhibitory activity and compounds S8, S9 and S15 showed the least inhibitory effect compared to the reference standard, acetazolamide, indicating that their effect in normal cells is the lowest. Cell viability tests for the selected compounds were carried out on MCF7 (normoxia an...
Journal of Molecular Structure
Bassia eriophora (Schrad.) Asch. is one of the major and widely distributed wild plants belonging... more Bassia eriophora (Schrad.) Asch. is one of the major and widely distributed wild plants belonging to family Chenopodiaceae and growing in northern Saudi Arabia. In this study, Phytochemical and biological evaluations of the ethanolic extract of B. eriophora have been studied. Six known compounds were isolated; Quercetin (1), Quercetin 7-O-b-D-glucoside (2), Isorhamnetin 3-O-b-D-glucoside (3), Tetradecane (4), Pentacosanol (5) and Pheophytin a (6). Structure elucidation of the isolated compounds was carried out based on different spectroscopic techniques (1H and DEPTQ- NMR, UV and Mass spectrometry) as well as by comparison with authentic samples whenever possible. Acute toxicity, analgesic, anti-inflammatory and skeletal muscle relaxant effects were tested for the ethanolic extract of the plant. The results indicated that the ethanolic extract of B. eriophora has a very low toxicity (LD50 of 33.4 g/kg). Additionally, the ethanolic extract in doses of 500 and 750 mg/kg showed signifi...
Antibiotics, 2021
SARS-CoV-2 (COVID-19), a novel coronavirus causing life-threatening pneumonia, caused a pandemic ... more SARS-CoV-2 (COVID-19), a novel coronavirus causing life-threatening pneumonia, caused a pandemic starting in 2019 and caused unprecedented economic and health crises all over the globe. This requires the rapid discovery of anti-SARS-CoV-2 drug candidates to overcome this life-threatening pandemic. Strawberry (Fragaria ananassa Duch.) and ginger (Zingiber officinale) methanolic extracts were used for silver nanoparticle (AgNPs) synthesis to explore their SARS-CoV-2 inhibitory potential. Moreover, an in silico study was performed to explore the possible chemical compounds that might be responsible for the anti-SARS-CoV-2 potential. The characterization of the green synthesized AgNPs was carried out with transmission electron microscope (TEM), Fourier-transform infrared, spectroscopy ultraviolet-visible spectroscopy, zeta potential, and a dynamic light-scattering technique. The metabolic profiling of strawberry and ginger methanolic extract was assessed using liquid chromatography coup...
Journal of Drug Delivery Science and Technology, 2021
Pharmacognosy Journal, 2021
Records of Natural Products, 2019