Molecular modelling and dynamic simulation of UDP-N-acetylglucosamine 1-carboxyvinyltransferase (MurA) from Mycobacterium tuberculosis using in silico approach

Informatics in Medicine Unlocked ◽

10.1016/j.imu.2018.06.007 ◽

2018 ◽

Vol 12 ◽

pp. 56-66 ◽

Cited By ~ 3

Author(s):

Mustafa Alhaji Isa ◽

Rita Singh Majumdar ◽

Shazia Haider ◽

Saravanan Kandasamy

Keyword(s):

Mycobacterium Tuberculosis ◽

Dynamic Simulation ◽

Molecular Modelling ◽

In Silico

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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

Computational Biology and Chemistry ◽

10.1016/j.compbiolchem.2018.11.002 ◽

2019 ◽

Vol 78 ◽

pp. 116-126 ◽

Cited By ~ 2

Author(s):

Mustafa Alhaji Isa

Keyword(s):

Mycobacterium Tuberculosis ◽

Homology Modeling ◽

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

In Silico ◽

Tuberculosis H37rv ◽

Mycobacterium Tuberculosis H37rv

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Molecular docking and dynamic simulation of UDP-N-acetylenolpyruvoylglucosamine reductase (MurB) obtained from Mycobacterium tuberculosis using in silico approach

Network Modeling Analysis in Health Informatics and Bioinformatics ◽

10.1007/s13721-021-00317-3 ◽

2021 ◽

Vol 10 (1) ◽

Author(s):

Mustafa Alhaji Isa ◽

Mohammed Mustapha Mohammed

Keyword(s):

Mycobacterium Tuberculosis ◽

Molecular Docking ◽

Dynamic Simulation ◽

In Silico

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Molecular docking and dynamic simulation of 3-dehydroquinate dehydratase from mycobacterium tuberculosis

International Journal of Pharma and Bio Sciences ◽

10.22376/ijpbs.2017.8.4.b314-320 ◽

2017 ◽

Vol 8 (4) ◽

Cited By ~ 1

Author(s):

MUSTAFA ALHAJI ISA ◽

BALWANT KISHAN MALIK

Keyword(s):

Mycobacterium Tuberculosis ◽

Molecular Docking ◽

Dynamic Simulation

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A potential anticancer dihydropyrimidine derivative and its protein binding mechanism by multispectroscopic, molecular docking and molecular dynamic simulation along with its in-silico toxicity and metabolic profile

European Journal of Pharmaceutical Sciences ◽

10.1016/j.ejps.2020.105686 ◽

2021 ◽

Vol 158 ◽

pp. 105686

Author(s):

Tanveer A. Wani ◽

Nawaf Alsaif ◽

Mohammed M. Alanazi ◽

Ahmed H. Bakheit ◽

Seema Zargar ◽

...

Keyword(s):

Molecular Docking ◽

Protein Binding ◽

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

In Silico ◽

Metabolic Profile ◽

Binding Mechanism ◽

In Silico Toxicity

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In Silico Approach for Phytocompound-Based Drug Designing to Fight Efflux Pump-Mediated Multidrug-Resistant Mycobacterium tuberculosis

Applied Biochemistry and Biotechnology ◽

10.1007/s12010-021-03557-1 ◽

2021 ◽

Author(s):

Santasree Sarma Biswas ◽

Rene Barbie Browne ◽

Vedant Vikrom Borah ◽

Jayanti Datta Roy

Keyword(s):

Mycobacterium Tuberculosis ◽

In Silico ◽

Efflux Pump ◽

Multidrug Resistant ◽

Drug Designing

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Comparative analysis of antimicrobial resistance genes of Mycobacterium tuberculosis and Mycobacterium bovis in silico

International Journal of Infectious Diseases ◽

10.1016/j.ijid.2020.09.213 ◽

2020 ◽

Vol 101 ◽

pp. 70

Author(s):

T. Senbadejo ◽

T. Ganiyu ◽

L. Ezediuno ◽

C. Olaitan

Keyword(s):

Mycobacterium Tuberculosis ◽

Comparative Analysis ◽

Antimicrobial Resistance ◽

Mycobacterium Bovis ◽

Resistance Genes ◽

In Silico ◽

Antimicrobial Resistance Genes

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Arylquinolinecarboxamides: Synthesis, in vitro and in silico studies against Mycobacterium tuberculosis

Journal of Heterocyclic Chemistry ◽

10.1002/jhet.4340 ◽

2021 ◽

Author(s):

Fostino R. B. Bokosi ◽

Richard M. Beteck ◽

Audrey Jordaan ◽

Ronnet Seldon ◽

Digby F. Warner ◽

...

Keyword(s):

Mycobacterium Tuberculosis ◽

In Silico ◽

In Silico Studies

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Structure-Based In silico Design of aHigh-Affinity Dipeptide Inhibitor for Novel Protein Drug Target Shikimate Kinase of Mycobacterium tuberculosis

Chemical Biology & Drug Design ◽

10.1111/j.1747-0285.2010.01005.x ◽

2010 ◽

pp. no-no

Author(s):

Manoj Kumar ◽

Shikha Verma ◽

Sujata Sharma ◽

Alagiri Srinivasan ◽

Tej P. Singh ◽

...

Keyword(s):

Mycobacterium Tuberculosis ◽

In Silico ◽

Drug Target ◽

Protein Drug ◽

Shikimate Kinase ◽

In Silico Design ◽

Novel Protein

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Design, synthesis, in silico molecular modelling studies and biological evaluation of novel indole-thiazolidinedione hybrid analogues as potential pancreatic lipase inhibitors

New Journal of Chemistry ◽

10.1039/d0nj05649a ◽

2021 ◽

Author(s):

Ginson George ◽

Prashant S. Auti ◽

Atish T. Paul

Keyword(s):

Pancreatic Lipase ◽

Molecular Modelling ◽

In Silico ◽

Biological Evaluation ◽

Design Synthesis ◽

Potential Inhibitor ◽

Molecular Modelling Studies ◽

Modelling Studies ◽

Pancreatic Lipase Inhibitors

A series of thiazolidinedione-indole hybrids are designed and synthesized as a potential inhibitor for pancreatic lipase (PL).

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Synthesis and in-Silico Molecular Modelling, DFT Studies, Antiradical and Antihyperglycemic Activity of Novel Vanadyl Complexes Based on Chalcone Derivatives

Journal of Molecular Structure ◽

10.1016/j.molstruc.2021.132176 ◽

2021 ◽

pp. 132176

Author(s):

Mandeep Kaur ◽

Raj Kaushal

Keyword(s):

Molecular Modelling ◽

In Silico ◽

Dft Studies ◽

Antihyperglycemic Activity ◽

Chalcone Derivatives ◽

Vanadyl Complexes

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