Mohammad Shah Hafez Kabir | Wayne State University (original) (raw)

Papers by Mohammad Shah Hafez Kabir

Nimorazole belongs to the imidazole-based family of antibiotics to fight against anaerobic bacter... more Nimorazole belongs to the imidazole-based family of antibiotics to fight against anaerobic bacteria. Moreover, nimorazole is nowi nP hase 3c linical trial in Europe for potential use as ahypoxia radiosensitizer for treatment of head and neck cancers.W ee nvision the use of [ 15 N 3 ]nimorazole as at heragnostic hypoxia contrast agent that can be potentially deployed in the next-generation MRI-LINAC systems.Herein, we report the first steps to create long-lasting (for tens of minutes) hyperpolarized state on three 15 Ns ites of [ 15 N 3 ]nimorazole with T 1 of up to ca. 6minutes.T he nuclear spin polarization was boosted by ca. 67000-fold at 1.4 T (corresponding to P 15N of 3.2 %) by 15 NÀ 15 Ns pin-relayed SABRE-SHEATH hyperpolarization technique, relying on simultaneous exchange of [ 15 N 3 ]nimorazole and parahydrogen on polarization transfer Ir-IMes catalyst. The presented results pave the way to efficient spin-relayed SABRE-SHEATH hyperpolarization of aw ide range of imidazole-based antibiotics and chemotherapeutics.

15N spin–lattice relaxation dynamics in metronidazole-15N3 and metronidazole-15N2 isotopologues a... more 15N spin–lattice relaxation dynamics in metronidazole-15N3 and metronidazole-15N2 isotopologues are studied for rational design of 15N-enriched biomolecules for signal amplification by reversible exchange in microtesla fields. 15N relaxation dynamics mapping reveals the deleterious effects of interactions with the polarization transfer catalyst and a quadrupolar 14N nucleus within the spin-relayed 15N–15N network.

Among the hyperpolarization techniques geared toward in vivo magnetic resonance imaging, parahydr... more Among the hyperpolarization techniques geared toward in vivo magnetic resonance imaging, parahydrogen-induced polarization (PHIP) shows promise due to its low cost and fast speed of contrast agent preparation. The synthesis of 13 C-labeled, unsaturated precursors to perform PHIP by side arm hydrogenation has recently opened new possibilities for metabolic imaging owing to the biological compatibility of the reaction products, although the polarization transfer between the parahydrogen-derived protons and the 13 C heteronucleus must yet be better understood, characterized, and eventually optimized. In this realm, a new experimental strategy incorporating pulse-programmable magnetic field sweeping and in situ detection has been developed. The approach is evaluated by measuring the 13 C polarization of ethyl acetate-1-13 C, i.e., the product of pairwise addition of parahydrogen to vinyl acetate-1-13 C, resulting from zero-crossing magnetic field ramps of various durations, amplitudes, and step sizes. The results demonstrate (i) the profound effect these parameters have on the 1 H to 13 C polarization transfer efficiency and (ii) the high reproducibility of the technique.

Epidermal Growth Factor Receptor (EGFR) is one of the four members of the Human Epidermal Recepto... more Epidermal Growth Factor Receptor (EGFR) is one of the four members of the Human Epidermal Receptor (HER) family, which is deregulated and over expressed in platinum resistant ovarian cancer. Thus, targeting EGFR receptor along with platinum drugs is one of the major strategies to increase the platinum drug sensitivity. That " s why, in this study, we aimed to investigate the inhibitory activity and binding site analysis of indole-3-carbinol and its active metabolite 3,3'-diindolylmethane by using molecular simulation studies, also metabolic profile had been investigated by SOM prediction. The 3,3'-diindolylmethane showed significant inhibitory activity and binding energy comparing to indole-3-carbinol, also it processed lower toxicity and will undergo aromatic hydroxylation due its high intrinsic activity and Fe accessibility. Though our research study supports previous reports of EGFR inhibition, further in vivo study is necessary for validation of toxicological and pharmacokinetic study. However, the current work tries to address most of the variables in the dynamic drug design process by In silico study in order to boost the potentiality of the selected molecule to serve as good leads in terms of optimum pharmacokinetic and toxicological attributes.

The aim of the present study was to evaluate anthelmintic activity on Tubifex tubifex worm of met... more The aim of the present study was to evaluate anthelmintic activity on Tubifex tubifex worm of methanol extract of Macaranga denticulata (Muell. Arg.) leaves and in silico molecular docking used for six phytoconstituents namely 3-acetylaleuritolic acid, oleanolic acid, macarangin, scopoletin, β-sitosterol, stigmasterol isolated from M. denticulata, to identify whether these compounds interact with tubulin. M. denticulata leaves extract exhibited strong anthelmintic activity in vitro. Where it paralyzed (10.22±0.69min) and produced death (19.43±0.80 min) of the Tubifex tubifex at 10 mg/ml dose and the standard, Levamisole (3.3±0.38min and 6.5±0.76min) at 1 mg/ml. A wide range of docking score found during molecular docking by Schrodinger. 3-acetylaleuritolic acid, oleanolic acid, macarangin, scopoletin, β-sitosterol, stigmasterol showed the docking score-5.733,-3.951,-7.584,-6.115,-8.307-, and 8.021 respectively. Among all the compounds, β-sitosterol showed highest docking score. So, β-sitosterol is the best compounds as anthelmintic drug, as it possessed higher value in Molecular docking. Methanol extract of M. Denticulata leaves showed well anthelmintic activity. Further in vivo investigation need to identify that isolated compounds from M. denticulata have anthelmintic activity.

The present study aims to investigate the α-amylase inhibition of ethanol extract of Alpinia nigr... more The present study aims to investigate the α-amylase inhibition of ethanol extract of Alpinia nigra (EEAN) (Gaertn.) leaves by modified enzyme inhibitory action and in silico molecular docking used for five phytoconstituents namely α-fenchyl acetate, α-pinene, α-terpineol, camphene, camphor isolated from A. nigra, to identify whether these compounds interact with the responsible protein (α-amylase enzyme). And also ADME/T properties of the phytoconstituents were analyzed using Qikprop 3.2 module. EEAN had good α-amylase inhibitory activity (IC 50 = 1.803±0.032 mg/ml) as compared to Acarbose. A wide range of docking score found during molecular docking by Schrodinger. α-fenchyl acetate, α-pinene, α-terpineol, camphene, camphor showed the docking score-3.938,-3.344,-3.291,-3.463,-3.547, respectively. Among all the compounds, α-fenchyl acetate showed highest docking score. So, α-fenchyl acetate is the best compounds for α-amylase inhibition, as it possessed higher value in Molecular docking. From the ADME profiles of all the tested compounds, it cleared that they might safe for human. Further in vivo investigation need to identify whether isolated compounds from A. nigra have α-amylase inhibitory activity or not.

The aim of the study to find the mechanism of action of the isolated compounds from Nauclea latif... more The aim of the study to find the mechanism of action of the isolated compounds from Nauclea latifolia was explored the α-amylase inhibitory activity by molecular docking analysis used for five phytoconstituents namely beta-sitosterol, daucosterol, quinovic acid, rotundic acid and ursolic aldehyde isolated from N. latifolia, to identify whether these compounds interact with the responsible protein (α-amylase enzyme). And also ADME/T properties of the phytoconstituents were analyzed using Qikprop 3.2 module. A wide range of docking score found during molecular docking by CPI server. beta-sitosterol, daucosterol, quinovic acid, rotundic acid and ursolic aldehyde isolated showed the docking score-3.211,-3.526,-3.569,-4.199,-4.262, respectively. Among all the compounds, rotundic acid and ursolic aldehyde showed well docking score, glide emodel and glide energy. Predicted properties of beta-sitosterol, daucosterol, quinovic acid were not within the range for satisfying all the Lipinski's rule of five to be considered as drug like potential. But rotundic acid was satisfying all the Lipinski's rule of five to be considered as drug like potential. Ursolic aldehyde was satisfying all the Lipinski's rule of five except in lipophilicity (LogP) property. So, among all

Boehmeria platyphylla leaves are deliberated as worthy traditional medicine. To give a scientific... more Boehmeria platyphylla leaves are deliberated as worthy traditional medicine. To give a scientific basis for traditional usage of this medicinal plant, the methanol leaf extract (MEBP) was applied for its sedative and anxiolytic activities. In this study, the sedative activity was also evaluated using open field test, hole-cross test. Besides, elevated plus maze test, hole-board test for exploratory behavior in mice were used to evaluate its anxiolytic activities. The in vivo action was done using mice of both sexes. The extract showed a dose dependent sedative effect. The number of squares traveled by the mice was decreased significantly (P<0.01) from its initial value at 0 to 90 min at the dose of 400 mg/kg body weight of the extract. In the EPM, the behavior of mice model, as observed, confirmed the anxiolytic activity of diazepam as reported previously. The methanol extract of B. platyphylla leaves (MEBP) at the dose of 400 mg/kg, significantly increased the time spent in the open arms. Hole Board test proved that the extract have significant anxiolytic activity. Because, head dipping of mice increased with the treatment of MEBP. The obtained results support that B. platyphylla has well sedative and anxiolytic effects and deserve further investigation to isolate the specific components that are responsible for the sedative and anxiolytic effects. Components from this plant may have a great potential value as medicinal agents, as leads or model compounds for synthetic or semi synthetic structure modifications and optimization.

Acalypha indica L. (Family-Euphorbiaceae) is commonly known as Indian Acalypha, is found in fallo... more Acalypha indica L. (Family-Euphorbiaceae) is commonly known as Indian Acalypha, is found in fallow lands throughout Bangladesh. This plant is used in the treatment of analgesicemetic, expectorant, laxative, diuretic, bronchitis, pneumonia, asthma and pulmonary tuberculosis. The aim of present study to investigate in silico molecular docking study used for four phytoconstituents 2-methylanthraquinone, β-Sitosterol, n-octacosanol and stigmasterol which are isolated from Acalypha indica L. to identify whether these compounds interact with the responsible protein (Cyclooxygenase 1 enzyme). In silico PASS prediction of the compounds measured with server. Also ADME/T properties of the phytoconstituents were analyzed using Qikprop 3.2 module. A wide range of docking score found during molecular docking by Schrodinger. 2-methylanthraquinone, β-Sitosterol, n-octacosanol and stigmasterol showed the docking score-5.918,-2.575, 0.049 and-2.397 respectively. Among all the compounds 2-methylanthraquinone showed best docking score. So, 2-methylanthraquinone is the best compounds for selective Cyclooxygenase (COX 1) enzyme inhibition, as it possessed higher value in Molecular docking. In the PASS prediction for their analgesic activity of the isolated

Anisomeles Indica (L.) Kuntze (Family-Lamiaceae) is commonly known as Gobura, is found in fallow ... more Anisomeles Indica (L.) Kuntze (Family-Lamiaceae) is commonly known as Gobura, is found in fallow lands throughout Bangladesh. The plant has used for carminative, astringent, tonic properties and uterine infection by the tribal in Khagrachari, Bangladesh. Our aim of the study to performed molecular docking studies to identify potential binding affinities of the phytocompounds from Anisomeles indica (L.), namely acteoside, β-Sitosterol, campneoside II, isoacteoside and stigmasterol towards BACE1 for searching of lead molecule against alzheimer's disease. A wide range of docking score found during molecular docking by Schrodinger. Acteoside, β-Sitosterol, campneoside II, isoacteoside and stigmasterol showed the docking score-6.457,-4.163,-6.300,-6.428 and-2.021 respectively. Among all the compounds acteoside showed best docking score towards BACE1. So, acteoside is the best compounds for selective BACE1 enzyme inhibition, as it possessed best value in Molecular docking. Further in vivo investigation need to identify BACE1enzyme inhibitory activity of isolated compounds from A. indica.

Extract from the leaves of Boehmeria platyphylla D Don were screened for their brine shrimp letha... more Extract from the leaves of Boehmeria platyphylla D Don were screened for their brine shrimp lethality bioassay, thrombolytic and antimicrobial activities. The cytotoxicity was surveyed with the brine shrimp lethality bioassay and thrombolytic impact with human blood. The brine shrimp lethality bioassay was utilized to assess cytotoxicity (LC 50 = 75.26 μg/ml) contrasted with Vincristine sulfate (LC 50 = 0.74 μg/ml). It was also assessed as thrombolytic activity when contrasted with streptokinase. It has significant thrombolytic movement (73.17±2.08%) contrasted with standard streptokinase (81.32±1.46%). The extract indicated zone of inhibition against Gram positive bacteria (Bacillus subtilis and Bacillus cereus) and Gram negative bacteria (Salmonella typhi, Salmonella paratyphi, Escherichia coli, Pseudomonas aeruginosa) at 1000 µg/disc. Gram negative bacteria Staphylococcus aureus demonstrated no action against B. platyphylla leaves extract at both doses. Relative percentage inhibition of the extract against each bacterium also calculated. These results indicated that B. platyphylla have favorable thrombolytic, cytotoxic and antibacterial effects and capacities of B. platyphylla extract to be processed for pharmaceutical use.

Extract from the leaves of Ficus sagittata (Vahl) were screened for their antithrombotic, cytotox... more Extract from the leaves of Ficus sagittata (Vahl) were screened for their antithrombotic, cytotoxic and antimicrobial exercises. The cytotoxicity was surveyed with the brine shrimp lethality bioassay and antithrombotic impact with human blood by clot lysis method. The brine shrimp lethality bioassay was utilized to assess cytotoxicity (LC 50 = 226.85 μg/ml) contrasted with Vincristine sulfate (LC 50 = 0.74

Extract from the leaves of Antidesma ghaesembilla were screened for their antithrombotic, cytotox... more Extract from the leaves of Antidesma ghaesembilla were screened for their antithrombotic, cytotoxic and antimicrobial exercises. The cytotoxicity was surveyed with the brine shrimp lethality bioassay and antithrombotic impact with human blood. The brine shrimp lethality bioassay was utilized to assess cytotoxicity (LC 50 = 432.13 μg/ml) contrasted with Vincristine sulfate (LC 50 = 0.74 μg/ml). It was also assessed as antithrombotic activity when contrasted with streptokinase. It has significant antithrombotic movement (63.45±2.08%) contrasted with standard streptokinase (81.32±1.46%). The extract indicated zone of inhibition against Gram positive bacteria (Staphylococcus aureus and Bacillus subtilis) and Gram negative bacteria (Salmonella typhi, Salmonella paratyphi, Escherichia coli, Pseudomonas aeruginosa) 1000 µg/disc. Gram negative bacteria Bacillus cereus demonstrated no action against at both doses. A. ghaesembilla leaves extract and relative percentage inhibition of the extract also calculated. These results indicate that A. ghaesembilla have favorable Antithrombotic, cytotoxic and antibacterial effects of A. ghaesembilla extract to be processed for pharmaceutical use.

Cyclooxygenase-2 (COX-2) catalyzed synthesis of prostaglandin E2 and it associates with tumor gro... more Cyclooxygenase-2 (COX-2) catalyzed synthesis of prostaglandin E2 and it associates with tumor growth, infiltration, and metastasis in preclinical experiments. Known inhibitors against COX-2 exhibit toxicity. Therefore, it is of interest to screen natural compounds like flavanoids against COX-2. Molecular docking using 12 known flavanoids against COX-2 by FlexX and of ArgusLab were performed. All compounds showed a favourable binding energy of >-10 KJ/mol in FlexX and >-8 kcal/mol in ArgusLab. However this data requires in vitro and in vivo verification for further consideration.

Background: To identify the therapeutic effects of ethanol extract and its different fractions of... more Background: To identify the therapeutic effects of ethanol extract and its different fractions of Phrynium imbricatum leaves in anthelmintic (in vitro) and to determine their total condensed tannin content.

This study aims to predict whether Podocarpusflavone A (isolated from Podocarpus imbricatus), Pod... more This study aims to predict whether Podocarpusflavone A (isolated from Podocarpus imbricatus), Podocarpusflavone B (isolated from Psilotum nudum), Robustaflavone (isolated from Selaginella sellowii), Robustaflavone-7-methyl ether (isolated from Podocarpus imbricatus), Sciadopitysin (isolated from Taxus cuspidata) and β-sitosterol (isolated from Rubus suavissimus) have thrombolytic effects, which were done by using two in silico tools PASS prediction and Molecular docking. These six were analyzed by the PASS prediction for their thrombolytic activity and found wide range of activity. Podocarpusflavone A and Podocarpusflavone B was the best compound for thrombolytic effect from all the compounds, though it had much bigger Pa value (0.256) than Pi value (0.022). As a result, Podocarpusflavone A and Podocarpusflavone B both had 11.64 ratio (Pa : Pi) value. A wide range of docking score found during molecular docking by CPI server. Podocarpusflavone A, Podocarpusflavone B, Robustaflavone, Robustaflavone-7-methyl ether, Sciadopitysin and β-sitosterol showed the docking score-9.5,-9.5,-9.2,-9.6,-9.9 and-7.9, respectively. Data from the both in silico models showed similar value for the same compound, because Podocarpusflavone A and B showed high value and β-sitosterol showed low value in both in silico models. All the dates showed that Podocarpusflavone A and B are the best compounds for thrombosis

The present study aims to investigate the thrombolytic effect of some antidiabetic drugs by in vi... more The present study aims to investigate the thrombolytic effect of some antidiabetic drugs by in vitro clot lysis method and in silico molecular docking used to identify whether these drugs interact with the responsible protein (tissue-type plasminogen activator). In vitro clot lysis model was used to observe the thrombolytic effect of Glibenclamide, Metformin hydrochloride, Sitagliptin phosphate and Vildagliptin drugs, where they exhibited 46.61 ± 2.84%, 43.89 ± 3.41%, 24.45 ± 2.62 % and 35.89 ± 3.57 % clot lysis, respectively. Reference drug streptokinase exhibited 78.70±0.92% clot lysis. A wide range of docking score found during molecular docking by CPI server. Glibenclamide, Metformin hydrochloride, Sitagliptin phosphate and Vildagliptin drugs showed the docking score-8.6,-4.9,-3.8 and-7.3, respectively. Glibenclamide possessed highest clot lysis effect and also showed best docking score among the antidiabetic drugs, where Sitagliptin phosphate exhibited the opposite. But results of Metformin hydrochloride and Vildagliptin were different compare with the other drugs result. Though Metformin hydrochloride showed higher clot lysis (43.89 ± 3.41%) effect than Vildagliptin, but in in silico molecular docking method, Vildagliptin showed well docking score over Metformin hydrochloride. Further in vivo investigation need to identify the thrombolytic effect of these antidiabetic drugs and also require making out the mechanism of them as thrombolytic agents.

This study aims to predict whether the isolated compounds from Flemingia macrophylla have thrombo... more This study aims to predict whether the isolated compounds from Flemingia macrophylla have thrombolytic effects, which were done by using two in silico tools PASS prediction and Molecular docking. Nine phytoconstituents namely beta-sitosterol, cajanin, flemichin E, flemiflavanone A, fleminone, genistein, genistin, kushenol E, neoraufurane, prunetin and stigmasterol were analyzed by the PASS prediction for their thrombolytic activity and found wide range of activity. Flemichin E was the best compound for thrombolytic effect
from all the compounds, though it had much bigger Pa value (0.466) than Pi value (0.004). As a result, flemichin E had 116.5 ratio (Pa : Pi) value. A wide range of docking score found during molecular docking by CPI server. Beta-sitosterol, cajanin, flemichin E, flemiflavanone A, genistein, genistin, kushenol E, neoraufurane and prunetin showed the docking score -7.9, -
8.4, -8.8, -8.6, -8.0, -8.6, -8.7, -8.3 and -7.9, respectively. Data from the both in silico models showed similar values for the same compound, because flemichin E showed high value and
beta-sitosterol, prunetin showed low value in both in silico models. All the data supported that flemichin E is the best compound for thrombosis management, as it possessed higher
value both in PASS prediction and Molecular docking. After flemichin E, genistin showed well docking score (-8.6) and good prediction for thrombolytic effect in PASS prediction.
Further in vitro and in vivo investigation need to identify whether flemichin E, genistin and other compounds have thrombolytic effect or not.

Objective: To investigate the therapeutic effects of different extracts of Hopea odorata leaves i... more Objective: To investigate the therapeutic effects of different extracts of Hopea odorata leaves in
anthelmintic (In vitro) and to determine their total condensed tannin (proanthocyanidin) content.
Methods: Leaves of Hopea odorata was extracted with pure methanol (MEHO), ethanol (EEHO)
and water (AEHO), which are tested for anthelmintic activity on aquarium worm Tubifex tubifex by
using four concentrations viz., 2.5, 5, 10 and 20 mg/ml of each. Total condensed tannin content
determined based on the previous procedure of Oyedemi et al. [1].
Results: Among the all extracts, MEHO exhibited strong anthelmintic activity In vitro. Where it
paralyzed (4.05±0.35 min; P<0.05) and produced death (7.5±0.38 min; P<0.001) of the Tubifex tubifex at highest 20 mg/ml dose close to the value of the standard, Levamisole (3.3±0.38 min and
6.5±0.76 min) at 1 mg/ml. The content of condensed tannin excellent at all extracts, but MEHO
(96.99±0.34 mg catechin/g) contained maximum among them. For both of experiment, activity
found as follows, MEHO > EEHO > AEHO.
Conclusion: These findings suggest that the plant may be a potential source for the development
of new anthelmintic and condensed tannin is a type of phytochemical which may exhibit
anthelmintic activity.

Present study was aimed to evaluate the in vitro complexation nature and strength of complex whic... more Present study was aimed to evaluate the in vitro complexation nature and strength of complex which may be formed due to interaction between Montelukast Sodium and Amlodipine Besylate. The interaction of Montelukast Sodium and Amlodipine Besylate has been studied in aqueous systems at a fixed temperature (370C) at both gastric pH (pH 1.0 and pH 3.0) and intestinal pH (pH 6.5 and pH 6.8) by using some physical methods as spectral observation, Job’s method of continuous variation, Ardon’s method. From spectrophotometric study, Montelukast Sodium and Amlodipine Besylate give different spectra when Montelukast Sodium mixed with Amlodipine Besylate in 1:1 ratio the intensity of the spectra of Montelukast Sodium change remarkably due to interaction. The jobs plot was obtained by plotting absorbance difference against the mole fraction of the each drug at pH 1.0, pH 3.0, pH 6.5 and pH 6.8. Montelukast Sodium strong 1:1 complex with Amlodipine Besylate and lower spectra indicate the formation of 1:1 complexes of Montelukast Sodium with Amlodipine Besylate. These may indicate strong kinetics of complexation between Montelukast Sodium with Amlodipine Besylate. The value of stability constant for the complexation of Montelukast Sodium with Amlodipine Besylate at pH 1.0, pH 3.0, pH 6.5 and pH 6.8 were obtained from the spectral data using Ardon’s plot. The value of stability constant for the drug-drug system at pH pH 1.0, pH 3.0, pH 6.5 and pH 6.8 are 1.9412, 2.0323, 2.0952 and 2.2203 respectively. At pH 6.8 it is found that Montelukast Sodium form relatively stable complex with Amlodipine Besylate (stability constant 2.2203) is high in comparison to pH 1. It can therefore be concluded that a careful consideration is needed during concurrent administration of Montelukast Sodium with Amlodipine Besylate.
Key words: Drug interaction, Montelukast Sodium, Amlodipine Besylate, pH, Ardon’s method,