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Synthesis, spectral characterisation, biocidal investigation, in-silico and molecular docking studies of 4-[(2-chloro-4-methylphenyl)carbamoyl]butanoic acid derived triorganotin(IV) compounds.
Hanifa B, Bibi N, Sirajuddin M, Tiekink ERT, Kubicki M, Khan I, Bari A, Wadood A, Shams S. Hanifa B, et al. Among authors: shams s. J Biomol Struct Dyn. 2024 Feb-Mar;42(4):1826-1845. doi: 10.1080/07391102.2023.2204160. Epub 2023 Apr 28. J Biomol Struct Dyn. 2024. PMID: 37114651
In silico exploration of the potential inhibitory activities of in-house and ZINC database lead compounds against alpha-glucosidase using structure-based virtual screening and molecular dynamics simulation approach.
Awan ZA, Khan HA, Jamal A, Shams S, Zheng G, Wadood A, Shahab M, Khan MI, Kalantan AA. Awan ZA, et al. Among authors: shams s. J Biomol Struct Dyn. 2024 Jan 31:1-11. doi: 10.1080/07391102.2023.2298391. Online ahead of print. J Biomol Struct Dyn. 2024. PMID: 38294714
414 results