Mondal, D., Kumar, V., Satler, T., Ramachandran, R., Saltzberg, D., Chemmama, I., ... & Sali, A. (2024). Recognizing amino acid sidechains in a medium resolution cryo-electron density map. bioRxiv, 2024-12. Article Link
Nazim, T., Kumar, V., Ahmed, F., Ehtesham, N. Z., Hasnain, S. E., Sundar, D., & Grover, S. (2024). Investigating the interaction pattern of FDA approved compounds with Mycobacterium tuberculosis GidB to understand their potential as antibiotics. Journal of Biomolecular Structure and Dynamics, 1-10. Article Link
Kumar, V., Shefrin, S. and Sundar, D. (2024). Molecular insights into the binding interactions and energetics of the Omicron spike variant with hACE2 and a neutralizing antibody. Journal of Structural Biology 216(2): 108087 Article Link
Nazim, T., Kumar, V., Ahmed, F., Ehtesham, N.Z., Hasnain, S.E., Sundar, D.* and Grover, S. (2024). Computational analysis of RNA methyltransferase Rv3366 as a potential drug target for combating drug-resistant Mycobacterium tuberculosis. Frontiers in Molecular Biosciences Article Link
Deedwania, A., Karmakar, S., Kumar, V., Shefrin, S., Sundar, D., Srivastava, P.(2024). Construction and characterization of a temperature-sensitive pRC4 replicon for Rhodococcus and Gordonia. Gene Article Link
Kumar, V., Sari, A.N., Gupta, D., Ishida, Y., Terao, K., Kaul, S.C., Vrati, S., Sundar, D.* and Wadhwa, R. (2024). Anti-COVID-19 potential of withaferin-A and caffeic acid phenethyl ester. Current Topics in Medicinal Chemistry Article Link
Kumar, V., Meidinna, H.N., Gupta, D., Ishida, Y., Terao, K., Kaul, S.C., Vrati, S., Sundar, D. and Wadhwa, R. (2023). Molecular insights to the anti-COVID-19 potential of α-, β- and γ-Cyclodextrins. J. Biomolecular Structure and Dynamics Article Link
Kumar, V., Dhanjal, J.K., Sari, A.N., Khurana, M., Kaul, S.C., Wadhwa, R. and Sundar, D. (2023).Effect of Withaferin-A, Withanone and Caffeic Acid Phenethyl Ester (CAPE) on DNA methyltransferases: potential in epigenetic cancer therapy. Current Tropics in Medicinal Chemistry. Article Link.
Kumar, V., Sari, A.N., Meidinna, H.N., Kaul, A., Basu, B., Ishida, Y., Terao, K., Kaul, S.C., Vrati, S., Sundar, D. and Wadhwa, R. (2023). Computational and experimental evidence to the anti-COVID-19 potential of honeybee propolis ingredients, caffeic acid phenethyl ester and artepillin c. Phytotherapy Research. Article Link.
Rathi, A., Kumar, V. and Sundar, D. (2023). Insights into the potential of withanolides as as Phosphodiesterase-4 (PDE4D) inhibitors. J. Biomolecular Structure and Dynamics 41(6): 2108-2117. Article Link.
Shefrin, S., Sari, A.N., Kumar, V., Zhang, H., Meidinnia, H.N., Kaul, S.C., Wadhwa, R. and Sundar, D. (2022). Comparative computational and experimental analyses of some natural small molecules to restore transcriptional activation function of p53 in cancer cells harbouring wild type and p53-Ser46 mutant. Current Research in Structural Biology 4: 320-331. Article Link.
Sari, A.N., Dhanjal, J.K., Elwakeel, A., Kumar, V., Meidinnia, H.N., Zhang, H., Ishida, Y., Terao, K., Sundar, D., Kaul, S.C. and Wadhwa, R. (2022). A low dose combination of Withaferin-A and Caffeic Acid Phenethyl Ester possesses anti-metastasis potential in vitro: molecular targets and mechanisms. Cancers 14: 787. Article Link.
Kumar, V., Dhanjal, J.K., Kaul, A., Wang, J., Zhang, H., Bhargava, P. Kaul, S.C., Wadhwa, R. and Sundar, D. (2022). Withanone and Withaferin-A have ability to inhibit Transmembrane Protease Serine 2 (TMPRSS2) to block the entry of SARS-CoV-2 into the cells. J. Biomolecular Structure and Dynamics 40(1): 1-13. Article Link.
Kalra, R.S., Kumar, V., Dhanjal, J.K., Garg, S., Li, X., Kaul, S.C., Sundar, D.*, and Wadhwa, R. (2022). COVID19-inhibitory activity of withanolides involves targeting of the host cell surface receptor ACE2: Insights from computational and biochemical assays. J. Biomolecular Structure and Dynamics 40(17): 7885-7898. Article Link.
Malik, V., Kumar, V., Kaul, S.C., Wadhwa, R. and Sundar, D.(2021). Potential of Withaferin-A, Withanone and Caffeic Acid Phenethyl Ester as ATP-competitive inhibitor of BRAF: a bioinformatics study. Current Research in Structural Biology 3: 301-311. Article Link.
Kumar, V., Singh, J., Hasnain, S.E. and Sundar, D. (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. International Journal of Molecular Sciences 22(17): 9131. Article Link.
Singh, J., Samal, J., Kumar, V., Sharma, J., Agarwal, U., Ehtesham, N.Z., Sundar, D.*, Rahman, S.A., Hira, S. and Hasnain, S.E. (2021). 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. Viruses 13(3): 439. Article Link.
Kumar, V., Dhanjal, J.K., Kaul, S.C., Wadhwa, R. and Sundar, D. (2021). Withanone and Caffeic Acid Phenethyl Ester are predicted to interact with Main Protease (Mpro) of SARS-CoV-2 and inhibit its activity. J. Biomolecular Structure and Dynamics 39(11): 3842-3854. Article Link.
Dhanjal, J.K., Kumar, V., Garg, S., Subramani, C., Agarwal, S., Wang, J., Zhang, H., Kaul, A., Kalra, R.S., Kaul, S.C., Vrati, S., Sundar, D.* and Wadhwa, R. (2021). Molecular mechanism of anti-SARS-CoV-2 activity of Ashwagandha-derived withanolides. International Journal of Biological Macromolecules 184: 297-312. Article Link.
Kumar, V., Sari, A.N., Meidinna, H.N., Dhanjal, J.K., Subramani, C., Basu, B., Kaul, A., Vrati, S., Sundar, D.* and Wadhwa, R. (2021). Computational and in vitro experimental analyses of the anti-COVID-19 potential of Mortaparib and MortaparibPlus. Bioscience Reports 41(10):BSR20212156. Article Link.
Malik, V., Kumar, V., Kaul, S.C., Wadhwa, R. and Sundar, D. (2021). Computational insights into the potential of Withaferin-A, Withanone and Caffeic Acid Phenethyl Ester for treatment of aberrant-EGFR driven lung cancers. Biomolecules 11(2): 160. Article Link.
Sari, A.N., Elwakeel, A., Dhanjal, J.K., Kumar, V., Sundar, D., Kaul, S.C. and Wadhwa, R. (2021). Identification and characterization of MortaparibPlus - a novel triazole derivative that targets mortalin-p53 interaction and inhibits proliferation of cancer cells by wild type p53-dependent and -independent mechanisms. Cancers 13: 835. Article Link.
Kumar, V., Chakraborty, A., Kaur, M., Pandey, S., & Jena, M. K. (2018). Comparative study on antimicrobial activity of tulsi (Ocimum sanctum) and neem (Azadirachta indica) methanol extract. Asian Journal of Pharmaceutical and Clinical Research 514-517. Article Link.
Wadhwa, R., Dhanjal, J.K., Kumar, V., Kaul, S.C. and Sundar, D. (2020). Why Ashwagandha for prevention and treatment of COVID-19? Applied Microbiology 6(3): 176. Article Link.
Nil. Article Link.