Search Results - "Alhaji Isa, Mustafa"
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5-chloro-3-(2-(2,4-dinitrophenyl) hydrazono)indolin-2-one: synthesis, characterization, biochemical and computational screening against SARS-CoV-2
Published in Chemical papers (2024)“…Chemical prototypes with broad-spectrum antiviral activity are important toward developing new therapies that can act on both existing and emerging viruses…”
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2
Biophysical insights into the binding characteristics of bovine serum albumin with dipyridamole and the influence of molecular interaction with β cyclodextrin
Published in Journal of biomolecular structure & dynamics (02-07-2020)“…The binding characteristic of anti-platelet drug dipyridamole has been investigated with a transport protein, serum albumin. A multi-spectroscopic approach has…”
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Elucidating the molecular interaction of serum albumin with nizatidine and the role of β-cyclodextrin: multi-spectroscopic and computational approach
Published in Journal of biomolecular structure & dynamics (23-03-2020)“…Nizatidine is a histamine H2 receptor antagonist which act by inhibiting the production of stomach acid, thereby, finds its application in treating various…”
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Discovery of new potential triplet acting inhibitor for Alzheimer's disease via X-ray crystallography, molecular docking and molecular dynamics
Published in Journal of biomolecular structure & dynamics (02-05-2020)“…The most common brain disorder of late life is Alzheimer's disease (AD), which is highly complicating dementia. There are several drug targets which are…”
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Pyridazine Derivatives as New Antidiabetic Agents: Synthesis, In‐Vitro α‐Amylase Inhibitory Activity, Molecular Docking and Molecular Dynamics Simulations Studies
Published in ChemistrySelect (Weinheim) (11-09-2024)“…This study involved the synthesis, characterization, and assessment of fourteen pyridazine analogs (designated as 1–14) to investigate their efficacy in…”
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Identification of potent inhibitors of ATP synthase subunit c (AtpE) from Mycobacterium tuberculosis using in silico approach
Published in Heliyon (01-12-2021)“…ATP synthase subunit c (AtpE) is an enzyme that catalyzes the production of ATP from ADP in the presence of sodium or proton gradient from Mycobacterium…”
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Molecular modelling and dynamic simulation of UDP-N-acetylglucosamine 1-carboxyvinyltransferase (MurA) from Mycobacterium tuberculosis using in silico approach
Published in Informatics in medicine unlocked (2018)“…UDP-N-acetylglucosamine 1-carboxyvinyltransferase (MurA) catalyses the biosynthesis of peptidoglycans in Mycobacterium tuberculosis (MTB) cell wall by adding…”
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Comparative modeling and dynamic simulation of UDP-N-acetylmuramoyl-alanine ligase (MurC) from Mycobacterium tuberculosis through virtual screening and toxicity analysis
Published in Life sciences (1973) (01-12-2020)“…UDP-N-acetylmuramic-alanine ligase (MurC) is an enzyme catalyzing the addition of L-alanine to UDP-acetylmuramoyl nucleotide precursor in Mycobacterium…”
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Homology modeling and molecular dynamic simulation of UDP-N-acetylmuramoyl-l-alanine-d-glutamate ligase (MurD) from Mycobacterium tuberculosis H37Rv using in silico approach
Published in Computational biology and chemistry (01-02-2019)“…[Display omitted] The present study aimed to identify the prospective inhibitors of MurD, a cytoplasmic enzyme that catalyzes the addition of d-glutamate to…”
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Homology modeling and in silico toxicity assessment of potential inhibitors of cytidylate kinase from Mycobacterium tuberculosis
Published in Network modeling and analysis in health informatics and bioinformatics (Wien) (01-12-2019)“…Cytidylate kinase (CMK) plays a central role in the phosphorylation of ATP to nucleoside diphosphates in the purine and pyrimidine pathway in Mycobacterium…”
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11
Inhibition of glutathione and s-allyl glutathione on pancreatic lipase: Analysis through in vitro kinetics, fluorescence spectroscopy and in silico docking
Published in International journal of biological macromolecules (01-10-2020)“…Inhibition of pancreatic lipase (PL) is considered one of the important therapeutic interventions against obesity. In the present study, the inhibition of…”
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Molecular docking and dynamic simulation of UDP-N-acetylenolpyruvoylglucosamine reductase (MurB) obtained from Mycobacterium tuberculosis using in silico approach
Published in Network modeling and analysis in health informatics and bioinformatics (Wien) (01-12-2021)“…The UDP-N-acetylenolpyruvoylglucosamine reductase (MurB) catalyzes the final steps of the UDP-N-acetylmuramic acid (UDPMurNAc) formation in the peptidoglycan…”
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Synthesis, crystal structure, DFT, Hirshfeld surface analysis, energy framework, docking and molecular dynamic simulations of (E)-4-(4-methylbenzyl)-6-styrylpyridazin-3(2H)-one as anticancer agent
Published in Journal of biomolecular structure & dynamics (29-12-2023)“…In this work, a novel crystal, (E)-4-(4-methylbenzyl)-6-styrylpyridazin-3(2H)-one (E-BSP) was synthesized via Knoevenagel condensation of benzaldehyde and…”
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In silico identification of potential inhibitors against shikimate dehydrogenase through virtual screening and toxicity studies for the treatment of tuberculosis
Published in International microbiology (01-03-2019)“…The present study attempts to identify the novel inhibitors of shikimate dehydrogenase (SD), the enzyme that catalyzes the fourth reaction in the shikimate…”
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In silico docking and molecular dynamics simulation of 3-dehydroquinate synthase (DHQS) from Mycobacterium tuberculosis
Published in Journal of molecular modeling (01-06-2018)“…The shikimate pathway is as an attractive target because it is present in bacteria, algae, fungi, and plants but does not occur in mammals. In Mycobacterium…”
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Identification of potential inhibitors of shikimate kinase from Mycobacterium tuberculosis using in silico approach
Published in Journal of proteins and proteomics (21-03-2024)“…Shikimate kinase is an enzyme that plays a crucial role in the biosynthesis of aromatic amino acids. It is integral to the fifth step of the shikimate pathway,…”
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Computer-aided drug design based on comparative modeling, molecular docking and molecular dynamic simulation of Polyphosphate kinase (PPK) from Mycobacterium tuberculosis
Published in Journal of proteins and proteomics (08-03-2019)“…This study aimed to identify compounds that are capable of inhibiting polyphosphate kinase (PPK), the protein that shares a similar pathway with the target of…”
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