Dr. Akhil Kumar
Dr. Akhil Kumar
Present:IPDF IITK,Past: National Post Doctral Fellow, at IISc Bangalore, SRF at CSIR-CIMAP
Verified email at IISc.ac.in
Title
Cited by
Cited by
Year
Molecular docking based virtual screening of natural compounds as potential BACE1 inhibitors: 3D QSAR pharmacophore mapping and molecular dynamics analysis
A Kumar, S Roy, S Tripathi, A Sharma
Journal of Biomolecular Structure and Dynamics 34 (2), 239-249, 2016
352016
Docking, molecular dynamics, binding energy-MM-PBSA studies of naphthofuran derivatives to identify potential dual inhibitors against BACE-1 and GSK-3β
A Kumar, G Srivastava, AS Negi, A Sharma
Journal of Biomolecular Structure and Dynamics 37 (2), 275-290, 2019
312019
Molecular insight into amyloid oligomer destabilizing mechanism of flavonoid derivative 2-(4′ benzyloxyphenyl)-3-hydroxy-chromen-4-one through docking and molecular dynamics …
A Kumar, S Srivastava, S Tripathi, SK Singh, S Srikrishna, A Sharma
Journal of Biomolecular Structure and Dynamics 34 (6), 1252-1263, 2016
302016
Virtual screening, ADMET profiling, molecular docking and dynamics approaches to search for potent selective natural molecules based inhibitors against metallothionein-III to …
S Roy, A Kumar, MH Baig, M Masařík, I Provazník
Methods 83, 105-110, 2015
262015
The Flavonoid Derivative 2-(4′ Benzyloxyphenyl)-3-hydroxy-chromen-4-one Protects Against Aβ 42-Induced Neurodegeneration in Transgenic Drosophila: Insights from In Silico and …
SK Singh, R Gaur, A Kumar, R Fatima, L Mishra, S Srikrishna
Neurotoxicity research 26 (4), 331-350, 2014
262014
Changing paradigm from one target one ligand towards multi-target directed ligand design for key drug targets of Alzheimer disease: an important role of in silico methods in …
A Kumar, A Tiwari, A Sharma
Current neuropharmacology 16 (6), 726-739, 2018
232018
Gallic acid-based indanone derivative interacts synergistically with tetracycline by inhibiting efflux pump in multidrug resistant E. coli
GR Dwivedi, N Tiwari, A Singh, A Kumar, S Roy, AS Negi, A Pal, ...
Applied microbiology and biotechnology 100 (5), 2311-2325, 2016
222016
Investigation of naphthofuran moiety as potential dual inhibitoragainst BACE-1 and GSK-3β: molecular dynamics simulations,binding energy, and network analysis to identify first …
AS Akhil Kumar, Gaurava Srivastava, Swati Srivastava, Seema Verma, Arvind S ...
Journal of Molecular Modeling - 23 (239), 2017
192017
Molecular investigation of active binding site of isoniazid (INH) and insight into resistance mechanism of S315T-MtKatG in Mycobacterium tuberculosis
G Srivastava, S Tripathi, A Kumar, A Sharma
Tuberculosis 105, 18-27, 2017
172017
Molecular docking and simulation studies to give insight of surfactin amyloid interaction for destabilizing Alzheimer’s Aβ42 protofibrils
A Verma, A Kumar, M Debnath
Medicinal Chemistry Research 25 (8), 1616-1622, 2016
162016
Determination of potential inhibitors based on isatin derivatives against SARS-CoV-2 main protease (mpro): a molecular docking, molecular dynamics and structure …
VN Badavath, A Kumar, PK Samanta, S Maji, A Das, G Blum, A Jha, A Sen
Journal of Biomolecular Structure and Dynamics, 1-19, 2020
112020
The effect of Benzothiazolone‐2 on the expression of Metallothionein‐3 in modulating Alzheimer's disease
S Roy, J Gumulec, A Kumar, M Raudenska, MH Baig, H Polanska, ...
Brain and behavior 7 (9), e00799, 2017
102017
Structural investigations into the binding mode of novel neolignans Cmp10 and Cmp19 microtubule stabilizers by in silico molecular docking, molecular dynamics and binding free …
Shubhandra Tripathi, Akhil Kumar, B Sathish Kumar, Arvind S Negi, Ashok Sharma
Journal of Biomolecular Structure and Dynamics 34 (6), 1232-1240, 2016
72016
Physicochemical Characterization, Molecular Docking, and In Vitro Dissolution of Glimepiride–Captisol Inclusion Complexes
A Pal, S Roy, A Kumar, S Mahmood, N Khodapanah, S Thomas, ...
ACS omega 5 (32), 19968-19977, 2020
52020
Molecular insight into multiple RpoB clinical mutants of Mycobacterium tuberculosis: An attempt to probe structural variations in rifampicin binding site underlying drug resistance
G Srivastava, S Tripathi, A Kumar, A Sharma
International journal of biological macromolecules 120, 2200-2214, 2018
52018
Computational modeling of multi-target-directed inhibitors against Alzheimer’s disease
A Kumar, A Sharma
Computational Modeling of Drugs Against Alzheimer’s Disease, 533-571, 2018
42018
A physicochemical descriptor based method for effective and rapid screening of dual inhibitors against BACE-1 and GSK-3β as targets for Alzheimer’s disease
Akhil Kumar , Gaurava Srivastava , Ashok Sharma
Computational Biology and Chemistry, 2017
42017
Screening of anti-mycobacterial phytochemical compounds for potential inhibitors against Mycobacterium tuberculosis isocitrate lyase
A Tiwari, A Kumar, G Srivastava, A Sharma
Current topics in medicinal chemistry 19 (8), 600-608, 2019
32019
SARS-CoV-2 Pocketome: Severe Acute Respiratory Syndrome Coronavirus 2, Pockets Identification for Antiviral & Antimicrobial Phytomolecules and Drug Repurposing
A Kumar, AK Shasany
12020
In silico interaction studies of first dual inhibitor against BACE-1/GSK-3β
A Kumar, G Srivastava, A Sharma
2016 International Conference on Bioinformatics and Systems Biology (BSB), 1-4, 2016
12016
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Articles 1–20