Discovery of New Hydroxyethylamine Analogs against 3CLpro Protein Target of SARS-CoV-2: Molecular Docking, Molecular Dynamics Simulation, and Structure … S Kumar, PP Sharma, U Shankar, D Kumar, SK Joshi, L Pena, ... Journal of Chemical Information and Modeling 60 (12), 5754-5770, 2020 | 119 | 2020 |
Coronavirus disease COVID-19: a new threat to public health S Kumar, B Rathi Current Topics in Medicinal Chemistry 20 (8), 599-600, 2020 | 59 | 2020 |
A novel compound active against SARS-CoV-2 targeting uridylate-specific endoribonuclease (NendoU/NSP15): in silico and in vitro investigations S Kumar, Y Gupta, SE Zak, C Upadhyay, N Sharma, AS Herbert, ... RSC Medicinal Chemistry 12 (10), 1757-1764, 2021 | 24 | 2021 |
Antiviral evaluation of hydroxyethylamine analogs: Inhibitors of SARS-CoV-2 main protease (3CLpro), a virtual screening and simulation approach Y Gupta, S Kumar, SE Zak, KA Jones, C Upadhyay, N Sharma, SA Azizi, ... Bioorganic & Medicinal Chemistry 47, 116393, 2021 | 18 | 2021 |
Drug repurposing against SARS-CoV-2 using computational approaches S Kumar, S Kovalenko, S Bhardwaj, A Sethi, NY Gorobets, SM Desenko, ... Drug Discovery Today 27 (7), 2015-2027, 2022 | 17 | 2022 |
Multi-targeting approach for nsp3, nsp9, nsp12 and nsp15 proteins of SARS-CoV-2 by Diosmin as illustrated by molecular docking and molecular dynamics simulation methodologies S Kumar, PP Sharma, C Upadhyay, P Kempaiah, B Rathi Methods 195, 44-56, 2021 | 17 | 2021 |
Oseltamivir analogs with potent anti-influenza virus activity S Kumar, S Goicoechea, S Kumar, CM Pearce, R Durvasula, P Kempaiah, ... Drug Discovery Today 25 (8), 1389-1402, 2020 | 16 | 2020 |
Theoretical and experimental studies of an oseltamivir–triazole-based thermoresponsive organogel S Kumar, L Wu, N Sharma, K Kaushik, M Grishina, BS Chhikara, ... RSC advances 9 (36), 21031-21041, 2019 | 11 | 2019 |
Experimental and Computational Studies of Microwave-Assisted, Facile Ring Opening of Epoxide with Less Reactive Aromatic Amines in Nitromethane S Kumar, C Upadhyay, M Bansal, M Grishina, BS Chhikara, V Potemkin, ... ACS omega 5 (30), 18746-18757, 2020 | 9 | 2020 |
Synthesis of the new analogs of morpholine and their antiplasmodial evaluation against the human malaria parasite Plasmodium falciparum C Upadhyay, N Sharma, S Kumar, PP Sharma, D Fontinha, BS Chhikara, ... New Journal of Chemistry 46 (1), 250-262, 2022 | 8 | 2022 |
Recent updates on the biological efficacy of approved drugs and potent synthetic compounds against SARS-CoV-2 S Kumar, B Rathi RSC advances 13 (6), 3677-3687, 2023 | 4 | 2023 |
Computational study of novel inhibitory molecule, 1-(4-((2 S, 3 S)-3-amino-2-hydroxy-4-phenylbutyl) piperazin-1-yl)-3-phenylurea, with high potential to competitively block ATP … PP Sharma, S Kumar, S Srivastava, M Srivastava, B Jee, NY Gorobets, ... Journal of Biomolecular Structure and Dynamics 40 (20), 10162-10180, 2021 | 3 | 2021 |
Novel fluorinated piperazine based-amino acid derivatives as antiplasmodial agents: Synthesis, bioactivity and computational studies C Upadhyay, S Bhattacharya, S Kumar, D Kumar, N Bhadula, B Rathi, ... Chemical Biology Letters 10 (3), 543-543, 2023 | 2 | 2023 |
Recent developments on Junin virus, a causative agent for Argentine haemorrhagic fever S Kumar, D Yadav, D Singh, K Shakya, B Rathi, Poonam Reviews in Medical Virology 33 (2), e2419, 2023 | 2 | 2023 |
Synthesis of coumarin based triazolyl thiazolidinones and their apoptotic inducer activity against caspase-3 Y Kumar, FNU Pooja, N Sinha, S Kumar, FNU Atul, S Kumar, P Kumar, ... Chemical Biology Letters 6 (2), 31-38, 2019 | 1 | 2019 |
Discovery of low‐molecular‐weight phenylalanine derivatives as novel HIV capsid modulators with improved antiretroviral activity and metabolic stability X Jiang, Z Gao, PP Sharma, S Kumar, B Rathi, X Ji, J Dai, M Xie, G Dong, ... Journal of Medical Virology 96 (4), e29594, 2024 | | 2024 |
A potent candidate against Zika virus infection: Synthesis, bioactivity, radiolabeling and biodistribution studies S Kumar, N Sharma, WM Dantas, JCF do Nascimento, H Maus, ... New Journal of Chemistry 46 (39), 18764-18775, 2022 | | 2022 |