Withanone and caffeic acid phenethyl ester are predicted to interact with main protease (Mpro) of SARS-CoV-2 and inhibit its activity V Kumar, JK Dhanjal, SC Kaul, R Wadhwa, D Sundar Journal of Biomolecular Structure and Dynamics 39 (11), 3842-3854, 2021 | 197 | 2021 |
Withanone and Withaferin-A are predicted to interact with transmembrane protease serine 2 (TMPRSS2) and block entry of SARS-CoV-2 into cells V Kumar, JK Dhanjal, P Bhargava, A Kaul, J Wang, H Zhang, SC Kaul, ... Journal of Biomolecular Structure and Dynamics 40 (1), 1-13, 2022 | 169 | 2022 |
Structure-function analyses of new SARS-CoV-2 variants B. 1.1. 7, B. 1.351 and B. 1.1. 28.1: clinical, diagnostic, therapeutic and public health implications J Singh, J Samal, V Kumar, J Sharma, U Agrawal, NZ Ehtesham, ... Viruses 13 (3), 439, 2021 | 130 | 2021 |
Possible link between higher transmissibility of alpha, kappa and delta variants of SARS-CoV-2 and increased structural stability of its spike protein and hACE2 affinity V Kumar, J Singh, SE Hasnain, D Sundar International journal of molecular sciences 22 (17), 9131, 2021 | 89 | 2021 |
In silico virtual screening-based study of nutraceuticals predicts the therapeutic potentials of folic acid and its derivatives against COVID-19 V Kumar, S Kancharla, MK Jena VirusDisease 32 (1), 29-37, 2021 | 69 | 2021 |
Molecular mechanism of anti-SARS-CoV2 activity of Ashwagandha-derived withanolides JK Dhanjal, V Kumar, S Garg, C Subramani, S Agarwal, J Wang, H Zhang, ... International Journal of Biological Macromolecules 184, 297-312, 2021 | 34 | 2021 |
COVID19-inhibitory activity of withanolides involves targeting of the host cell surface receptor ACE2: insights from computational and biochemical assays RS Kalra, V Kumar, JK Dhanjal, S Garg, X Li, SC Kaul, D Sundar, ... Journal of Biomolecular Structure and Dynamics 40 (17), 7885-7898, 2022 | 25 | 2022 |
Comparative study on antimicrobial activity of tulsi (Ocimum sanctum) and neem (Azadirachta indica) methanol extract V Kumar, A Chakraborty, M Kaur, S Pandey, MK Jena Asian Journal of Pharmaceutical and Clinical Research, 514-517, 2018 | 25 | 2018 |
Identification and Characterization of MortaparibPlus—A Novel Triazole Derivative That Targets Mortalin-p53 Interaction and Inhibits Cancer-Cell Proliferation by … AN Sari, A Elwakeel, JK Dhanjal, V Kumar, D Sundar, SC Kaul, ... Cancers 13 (4), 835, 2021 | 20 | 2021 |
Reverse vaccinology approach towards the in-silico multiepitope vaccine development against SARS-CoV-2 V Kumar, S Kancharla, P Kolli, M Jena F1000Research 10, 2021 | 18 | 2021 |
Computational insights into the potential of Withaferin-A, withanone and caffeic acid phenethyl ester for treatment of aberrant-EGFR driven lung cancers V Malik, V Kumar, SC Kaul, R Wadhwa, D Sundar Biomolecules 11 (2), 160, 2021 | 16 | 2021 |
A low dose combination of withaferin A and caffeic acid phenethyl ester possesses anti-metastatic potential in vitro: molecular targets and mechanisms AN Sari, JK Dhanjal, A Elwakeel, V Kumar, HN Meidinna, H Zhang, ... Cancers 14 (3), 787, 2022 | 13 | 2022 |
Potential of Withaferin-A, Withanone and Caffeic Acid Phenethyl ester as ATP-competitive inhibitors of BRAF: A bioinformatics study V Malik, V Kumar, SC Kaul, R Wadhwa, D Sundar Current Research in Structural Biology 3, 301-311, 2021 | 7 | 2021 |
Insights into the potential of withanolides as Phosphodiesterase-4 (PDE4D) inhibitors A Rathi, V Kumar, D Sundar Journal of Biomolecular Structure and Dynamics 41 (6), 2108-2117, 2023 | 4 | 2023 |
Computational and experimental evidence of the anti-COVID-19 potential of honeybee propolis ingredients, caffeic acid phenethyl ester and artepillin c V Kumar, AN Sari, HN Meidinna, A Kaul, B Basu, Y Ishida, K Terao, ... Phytotherapy research: PTR 37 (9), 3651-3654, 2023 | 3 | 2023 |
Effect of Withaferin-A, Withanone, and Caffeic Acid Phenethyl Ester on DNA Methyltransferases: Potential in Epigenetic Cancer Therapy V Kumar, JK Dhanjal, AN Sari, M Khurana, SC Kaul, R Wadhwa, ... Current topics in medicinal chemistry, 2023 | 3 | 2023 |
Comparative computational and experimental analyses of some natural small molecules to restore transcriptional activation function of p53 in cancer cells harbouring wild type … S Shefrin, AN Sari, V Kumar, H Zhang, HN Meidinna, SC Kaul, R Wadhwa, ... Current Research in Structural Biology 4, 320-331, 2022 | 3 | 2022 |
Computational and in vitro experimental analyses of the anti-COVID-19 potential of Mortaparib and MortaparibPlus V Kumar, AN Sari, HN Meidinna, JK Dhanjal, C Subramani, B Basu, ... Bioscience reports 41 (10), BSR20212156, 2021 | 3 | 2021 |
Computational analysis of RNA methyltransferase Rv3366 as a potential drug target for combating drug-resistant Mycobacterium tuberculosis T Nazim, V Kumar, F Ahmed, NZ Ehtesham, SE Hasnain, D Sundar, ... Frontiers in Molecular Biosciences 10, 1348337, 2024 | 1 | 2024 |
Molecular insights into the binding interactions and energetics of the omicron spike variant with hACE2 and a neutralizing antibody V Kumar, S Shefrin, D Sundar Journal of Structural Biology 216 (2), 108087, 2024 | | 2024 |