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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: khan ha. 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
In-Silico Lead Druggable Compounds Identification against SARS COVID-19 Main Protease Target from In-House, Chembridge and Zinc Databases by Structure-Based Virtual Screening, Molecular Docking and Molecular Dynamics Simulations.
Ghufran M, Ullah M, Khan HA, Ghufran S, Ayaz M, Siddiq M, Abbas SQ, Hassan SSU, Bungau S. Ghufran M, et al. Among authors: khan ha. Bioengineering (Basel). 2023 Jan 11;10(1):100. doi: 10.3390/bioengineering10010100. Bioengineering (Basel). 2023. PMID: 36671672 Free PMC article.
26 results