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Parsing structural fragments of thiazolidin-4-one based α-amylase inhibitors: A combined approach employing in vitro colorimetric screening and GA-MLR based QSAR modelling supported by molecular docking, molecular dynamics simulation and ADMET studies.
Singh R, Kumar P, Sindhu J, Devi M, Kumar A, Lal S, Singh D. Singh R, et al. Among authors: sindhu j. Comput Biol Med. 2023 May;157:106776. doi: 10.1016/j.compbiomed.2023.106776. Epub 2023 Mar 15. Comput Biol Med. 2023. PMID: 36947906
CORAL: probing the structural requirements for α-amylase inhibition activity of 5-(3-arylallylidene)-2-(arylimino)thiazolidin-4-one derivatives based on QSAR with correlation intensity index, molecular docking, molecular dynamics, and ADMET studies.
Singh R, Kumar P, Sindhu J, Kumar A, Lal S. Singh R, et al. Among authors: sindhu j. J Biomol Struct Dyn. 2024;42(21):11861-11878. doi: 10.1080/07391102.2023.2265490. Epub 2023 Oct 10. J Biomol Struct Dyn. 2024. PMID: 37815000
45 results