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Shubham Srivastava
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Febrifugine analogues as Leishmania donovani trypanothione reductase inhibitors: binding energy analysis assisted by molecular docking, ADMET and molecular …
RK Pandey, BV Kumbhar, S Srivastava, R Malik, S Sundar, A Kunwar, ...
Journal of Biomolecular Structure and Dynamics 35 (1), 141-158, 2017
682017
Exploring dual inhibitory role of febrifugine analogues against Plasmodium utilizing structure-based virtual screening and molecular dynamic simulation
RK Pandey, A Narula, M Naskar, S Srivastava, P Verma, R Malik, P Shah, ...
Journal of Biomolecular Structure and Dynamics 35 (4), 791-804, 2017
452017
Exploration of docetaxel palmitate and its solid lipid nanoparticles as a novel option for alleviating the rising concern of multi-drug resistance
L Kaushik, S Srivastava, A Panjeta, D Chaudhari, R Ghadi, K Kuche, ...
International Journal of Pharmaceutics 578, 119088, 2020
272020
Structure-based screening, ADMET profiling, and molecular dynamic studies on mGlu2 receptor for identification of newer antiepileptic agents
R Malik, P Mehta, S Srivastava, BS Choudhary, M Sharma
Journal of Biomolecular Structure and Dynamics 35 (16), 3433-3448, 2017
172017
Identification of chemically diverse GABAA agonists as potential anti-epileptic agents using structure-guided virtual screening, ADMET, quantum mechanics and clinical …
P Mehta, S Srivastava, M Sharma, I Singh, R Malik
International journal of biological macromolecules 119, 1113-1128, 2018
142018
Polypropyleneimine and polyamidoamine dendrimer mediated enhanced solubilization of bortezomib: Comparison and evaluation of mechanistic aspects by thermodynamics and molecular …
S Chaudhary, A Gothwal, I Khan, S Srivastava, R Malik, U Gupta
Materials Science and Engineering: C 72, 611-619, 2017
142017
Identification of novel acetylcholinesterase inhibitors through e-pharmacophore-based virtual screening and molecular dynamics simulations
R Malik, BS Choudhary, S Srivastava, P Mehta, M Sharma
Journal of Biomolecular Structure and Dynamics 35 (15), 3268-3284, 2017
132017
Pharmacophore modeling, 3D-QSAR, and in silico ADME prediction of N-pyridyl and pyrimidine benzamides as potent antiepileptic agents
R Malik, P Mehta, S Srivastava, BS Choudhary, M Sharma
Journal of Receptors and Signal Transduction 37 (3), 259-266, 2017
112017
High throughput virtual screening and in silico ADMET analysis for rapid and efficient identification of potential PAP248-286 aggregation inhibitors as anti-HIV agents
R Malik, D Bunkar, BS Choudhary, S Srivastava, P Mehta, M Sharma
Journal of Molecular Structure 1122, 239-246, 2016
112016
2-(chromon-3-yl) imidazole derivatives as potential antimicrobial agents: synthesis, biological evaluation and molecular docking studies
S Sharma, V Sharma, G Singh, H Kaur, S Srivastava, MPS Ishar
Journal of chemical biology 10, 35-44, 2017
102017
Mining of potential dipeptidyl peptidase-IV inhibitors as anti-diabetic agents using integrated in silico approaches
S Sharma, S Srivastava, A Shrivastava, R Malik, F Almalki, K Saifullah, ...
Journal of Biomolecular Structure and Dynamics 38 (18), 5349-5361, 2020
92020
Computational investigation for modeling the protein–protein interaction of TasA(28–261)–TapA(33–253): a decisive process in biofilm formation by Bacillus subtilis
N Verma, S Srivastava, R Malik, JK Yadav, P Goyal, J Pandey
Journal of Molecular Modeling 26, 1-16, 2020
92020
Design, synthesis and biological evaluation of selected 3-[3-(amino) propoxy] benzenamines as acetylcholinesterase inhibitors
R Malik, R Gupta, S Srivastava, BS Choudhary, M Sharma
Journal of Biomolecular Structure and Dynamics 35 (11), 2382-2394, 2017
82017
Inhibition and disintegration of Bacillus subtilis biofilm with small molecule inhibitors identified through virtual screening for targeting TasA(28-261), the major …
N Verma, S Srivastava, R Malik, P Goyal, J Pandey
Journal of Biomolecular Structure and Dynamics 41 (6), 2431-2447, 2023
72023
Computationally guided identification of Akt-3, a serine/threonine kinase inhibitors: Insights from homology modelling, structure-based screening, molecular dynamics and …
S Srivastava, P Mehta, O Sharma, M Sharma, R Malik
Journal of Biomolecular Structure and Dynamics 38 (14), 4179-4188, 2020
52020
Pharmacophore modeling and 3D-QSAR studies of galloyl benzamides as potent P-gp inhibitors
S Srivastava, BS Choudhary, M Sharma, R Malik
Medicinal Chemistry Research 25, 1140-1147, 2016
52016
Tandem MS-based metabolite profiling of 19, 20-epoxycytochalasin C reveals the importance of a hydroxy group at the C7 position for biological activity
M Kushwaha, A Qayum, SK Jain, J Singh, AK Srivastava, S Srivastava, ...
ACS omega 6 (5), 3717-3726, 2021
42021
Determination of comprehensive in silico determinants as a strategy for identification of novel PI3Kα inhibitors
S Srivastava, A Vengamthodi, I Singh, BS Choudhary, M Sharma, R Malik
Structural Chemistry 30, 1761-1778, 2019
42019
Discovery of novel chemotypes for competitive AMPA receptor antagonists as potential antiepileptic agents through structure-based virtual screening of natural products library
P Mehta, S Srivastava, M Sharma, R Malik
Structural Chemistry 30, 1159-1172, 2019
42019
Molecular dynamics insights for PI3K-δ inhibition & structure guided identification of novel PI3K-δ inhibitors
S Srivastava, B Singh Choudhary, P Mehta, Sukanya, M Sharma, R Malik
Journal of Biomolecular Structure and Dynamics 37 (9), 2404-2414, 2019
42019
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