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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: jamalis j. Bioorg Chem. 2022 Feb;119:105572. doi: 10.1016/j.bioorg.2021.105572. Epub 2021 Dec 21. Bioorg Chem. 2022. PMID: 34971946
Potential inhibitory activity of phytoconstituents against black fungus: In silico ADMET, molecular docking and MD simulation studies.
Hamaamin Hussen N, Hameed Hasan A, Jamalis J, Shakya S, Chander S, Kharkwal H, Murugesan S, Ajit Bastikar V, Pyarelal Gupta P. Hamaamin Hussen N, et al. Among authors: jamalis j. Comput Toxicol. 2022 Nov;24:100247. doi: 10.1016/j.comtox.2022.100247. Epub 2022 Sep 24. Comput Toxicol. 2022. PMID: 36193218 Free PMC article.
Discovery of Novel Coumarin-Schiff Base Hybrids as Potential Acetylcholinesterase Inhibitors: Design, Synthesis, Enzyme Inhibition, and Computational Studies.
Hasan AH, Abdulrahman FA, Obaidullah AJ, Alotaibi HF, Alanazi MM, Noamaan MA, Murugesan S, Amran SI, Bhat AR, Jamalis J. Hasan AH, et al. Among authors: jamalis j. Pharmaceuticals (Basel). 2023 Jul 6;16(7):971. doi: 10.3390/ph16070971. Pharmaceuticals (Basel). 2023. PMID: 37513883 Free PMC article.
Green synthesis, antibacterial and antifungal evaluation of new thiazolidine-2,4-dione derivatives: molecular dynamic simulation, POM study and identification of antitumor pharmacophore sites.
Ahmed S, Bhat AR, Rahiman AK, Dongre RS, Hasan AH, Niranjan V, C L, Sheikh SA, Jamalis J, Berredjem M, Kawsar SMA. Ahmed S, et al. Among authors: jamalis j. J Biomol Struct Dyn. 2023 Sep 28:1-17. doi: 10.1080/07391102.2023.2258404. Online ahead of print. J Biomol Struct Dyn. 2023. PMID: 37768136
29 results