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Page 1
Design, synthesis, and biological evaluation of novel 2,3-Di-O-Aryl/Alkyl sulfonate derivatives of l-ascorbic acid: Efficient access to novel anticancer agents via in vitro screening, tubulin polymerization inhibition, molecular docking study and ADME predictions.
Deshmukh SR, Nalkar AS, Sarkate AP, Tiwari SV, Lokwani DK, Thopate SR. Deshmukh SR, et al. Among authors: lokwani dk. Bioorg Chem. 2024 Apr 26;147:107402. doi: 10.1016/j.bioorg.2024.107402. Online ahead of print. Bioorg Chem. 2024. PMID: 38688199
Identification of structural scaffold from interbioscreen (IBS) database to inhibit 3CLpro, PLpro, and RdRp of SARS-CoV-2 using molecular docking and dynamic simulation studies.
Patil VR, Dhote AM, Patil R, Amnerkar ND, Lokwani DK, Ugale VG, Charbe NB, Firke SD, Chaudhari P, Shah SK, Mehta CH, Nayak UY, Khadse SC. Patil VR, et al. Among authors: lokwani dk. J Biomol Struct Dyn. 2023;41(22):13168-13179. doi: 10.1080/07391102.2023.2175377. Epub 2023 Feb 9. J Biomol Struct Dyn. 2023. PMID: 36757134
Strategic analyses to identify key structural features of antiviral/antimalarial compounds for their binding interactions with 3CLpro, PLpro and RdRp of SARS-CoV-2: in silico molecular docking and dynamic simulation studies.
Dhote AM, Patil VR, Lokwani DK, Amnerkar ND, Ugale VG, Charbe NB, Bhongade BA, Khadse SC. Dhote AM, et al. Among authors: lokwani dk. J Biomol Struct Dyn. 2022;40(22):11914-11931. doi: 10.1080/07391102.2021.1965912. Epub 2021 Aug 25. J Biomol Struct Dyn. 2022. PMID: 34431452
27 results