Targeting SARS-CoV-2 spike protein of COVID-19 with naturally occurring phytochemicals: an in silico study for drug development P Pandey, JS Rane, A Chatterjee, A Kumar, R Khan, A Prakash, S Ray Journal of biomolecular Structure and Dynamics 39 (16), 6306-6316, 2021 | 314 | 2021 |
2-(2-Hydrazinyl) thiazole derivatives: Design, synthesis and in vitro antimycobacterial studies P Makam, R Kankanala, A Prakash, T Kannan European journal of medicinal chemistry 69, 564-576, 2013 | 130 | 2013 |
Identification of potential inhibitors against SARS-CoV-2 by targeting proteins responsible for envelope formation and virion assembly using docking based virtual screening … D Bhowmik, R Nandi, R Jagadeesan, N Kumar, A Prakash, D Kumar Infection, Genetics and Evolution 84, 104451, 2020 | 120 | 2020 |
Design, synthesis, in-silico and biological evaluation of novel donepezil derivatives as multi-target-directed ligands for the treatment of Alzheimer's disease CB Mishra, S Kumari, A Manral, A Prakash, V Saini, AM Lynn, M Tiwari European journal of medicinal chemistry 125, 736-750, 2017 | 104 | 2017 |
Demethoxycurcumin induces Bcl-2 mediated G2/M arrest and apoptosis in human glioma U87 cells PM Luthra, R Kumar, A Prakash Biochemical and biophysical research communications 384 (4), 420-425, 2009 | 102 | 2009 |
Identifying the natural polyphenol catechin as a multi-targeted agent against SARS-CoV-2 for the plausible therapy of COVID-19: an integrated computational approach CB Mishra, P Pandey, RD Sharma, MZ Malik, RK Mongre, AM Lynn, ... Briefings in Bioinformatics 22 (2), 1346-1360, 2021 | 87 | 2021 |
Evaluation of flavonoids as 2019-nCoV cell entry inhibitor through molecular docking and pharmacological analysis D Bhowmik, R Nandi, A Prakash, D Kumar Heliyon 7 (3), 2021 | 74 | 2021 |
Functional annotation of putative hypothetical proteins from Candida dubliniensis K Kumar, A Prakash, M Tasleem, A Islam, F Ahmad, MI Hassan Gene 543 (1), 93-100, 2014 | 72 | 2014 |
Combining SARS-CoV-2 proofreading exonuclease and RNA-dependent RNA polymerase inhibitors as a strategy to combat COVID-19: a high-throughput in silico screening S Khater, P Kumar, N Dasgupta, G Das, S Ray, A Prakash Frontiers in microbiology 12, 647693, 2021 | 61 | 2021 |
Structure-based virtual screening, molecular dynamics simulation and MM-PBSA toward identifying the inhibitors for two-component regulatory system protein NarL of Mycobacterium … N Kumar, R Srivastava, A Prakash, AM Lynn Journal of Biomolecular Structure and Dynamics 38 (11), 3396-3410, 2020 | 56 | 2020 |
Insights into the biased activity of dextromethorphan and haloperidol towards SARS-CoV-2 NSP6: in silico binding mechanistic analysis P Pandey, K Prasad, A Prakash, V Kumar Journal of Molecular Medicine 98, 1659-1673, 2020 | 51 | 2020 |
Novel 8-(furan-2-yl)-3-substituted thiazolo [5, 4-e][1, 2, 4] triazolo [1, 5-c] pyrimidine-2 (3H)-thione derivatives as potential adenosine A2A receptor antagonists CB Mishra, SK Barodia, A Prakash, JBS Kumar, PM Luthra Bioorganic & medicinal chemistry 18 (7), 2491-2500, 2010 | 39 | 2010 |
Exploring the aggregation-prone regions from structural domains of human TDP-43 V Kumar, A Prakash, AK Tomar, A Srivastava, B Kundu, AM Lynn, ... Biochimica et Biophysica Acta (BBA)-Proteins and Proteomics 1867 (3), 286-296, 2019 | 35 | 2019 |
Design and synthesis of a novel class of carbonic anhydrase-IX inhibitor 1-(3-(phenyl/4-fluorophenyl)-7-imino-3H-[1, 2, 3] triazolo [4, 5d] pyrimidin 6 (7H) yl) urea S Kumari, D Idrees, CB Mishra, A Prakash, F Ahmad, MI Hassan, M Tiwari Journal of Molecular Graphics and Modelling 64, 101-109, 2016 | 34 | 2016 |
Comparative analysis of thermal unfolding simulations of RNA recognition motifs (RRMs) of TAR DNA-binding protein 43 (TDP-43) A Prakash, V Kumar, NK Meena, MI Hassan, AM Lynn Journal of Biomolecular Structure and Dynamics 37 (1), 178-194, 2019 | 33 | 2019 |
Discovery of novel Methylsulfonyl phenyl derivatives as potent human Cyclooxygenase-2 inhibitors with effective anticonvulsant action: Design, synthesis, in-silico, in-vitro … CB Mishra, S Kumari, A Prakash, R Yadav, AK Tiwari, P Pandey, M Tiwari European journal of medicinal chemistry 151, 520-532, 2018 | 33 | 2018 |
In vitro and in silico studies of urea-induced denaturation of yeast iso-1-cytochrome c and its deletants at pH 6.0 and 25 °C MA Haque, S Zaidi, S Ubaid-Ullah, A Prakash, MI Hassan, A Islam, ... Journal of Biomolecular Structure and Dynamics 33 (7), 1493-1502, 2015 | 33 | 2015 |
Molecular basis of the structural stability of hemochromatosis factor E: A combined molecular dynamic simulation and GdmCl-induced denaturation study HMI Khan P, Parkash A, Islam A, Ahmad F Biopolymers 105, 133-42, 2015 | 32* | 2015 |
8-(Furan-2-yl)-3-phenethylthiazolo [5, 4-e][1, 2, 4] triazolo [1, 5-c] pyrimidine-2 (3H)-thione as novel, selective and potent adenosine A2A receptor antagonist N Kumari, CB Mishra, A Prakash, N Kumar, R Mongre, PM Luthra Neuroscience Letters 558, 203-207, 2014 | 32 | 2014 |
Novel carbazole-piperazine hybrid small molecule induces apoptosis by targeting BCL-2 and inhibits tumor progression in lung adenocarcinoma in vitro and xenograft mice model RK Mongre, CB Mishra, A Prakash, S Jung, BS Lee, S Kumari, JT Hong, ... Cancers 11 (9), 1245, 2019 | 31 | 2019 |