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Novel thiophene Chalcones-Coumarin as acetylcholinesterase inhibitors: Design, synthesis, biological evaluation, molecular docking, ADMET prediction and molecular dynamics simulation.
Hasan AH, Murugesan S, Amran SI, Chander S, Alanazi MM, Hadda TB, Shakya S, Pratama MRF, Das B, Biswas S, Jamalis J. Hasan AH, et al. Among authors: shakya s. Bioorg Chem. 2022 Feb;119:105572. doi: 10.1016/j.bioorg.2021.105572. Epub 2021 Dec 21. Bioorg Chem. 2022. PMID: 34971946
Synthesis, spectrophotometric, pharmacology and theoretical investigation of a new electron transfer complex of 8-hydroxyquinoline with oxalic acid in different polar solvents.
Mustafa SK, Jame R, Aljohani MMH, Omer N, Alessa AH, Al-Anazi M, Alotaibi FA, Sk M, Islam M, Shakya S. Mustafa SK, et al. Among authors: shakya s. J Biomol Struct Dyn. 2023 Nov 14:1-13. doi: 10.1080/07391102.2023.2279277. Online ahead of print. J Biomol Struct Dyn. 2023. PMID: 37962847
Enhancing the Antipsychotic Effect of Risperidone by Increasing Its Binding Affinity to Serotonin Receptor via Picric Acid: A Molecular Dynamics Simulation.
Alhomrani M, Alsanie WF, Alamri AS, Alyami H, Habeeballah H, Alkhatabi HA, Felimban RI, Haynes JM, Shakya S, Raafat BM, Refat MS, Gaber A. Alhomrani M, et al. Among authors: shakya s. Pharmaceuticals (Basel). 2022 Feb 24;15(3):285. doi: 10.3390/ph15030285. Pharmaceuticals (Basel). 2022. PMID: 35337083 Free PMC article.
Protective effect of the newly synthesized and characterized charge transfer (CT) complex against arecoline induced toxicity in third-instar larvae of transgenic Drosophila melanogaster (hsp70-lacZ)Bg9: experimental and theoretical mechanistic insights.
Shakya S, Khan IM, Shakya B, Siddique YH, Varshney H, Jyoti S. Shakya S, et al. Among authors: shakya b. J Mater Chem B. 2023 Feb 8;11(6):1262-1278. doi: 10.1039/d2tb02362h. J Mater Chem B. 2023. PMID: 36648430
344 results