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How to face COVID-19: proposed treatments based on remdesivir and hydroxychloroquine in the presence of zinc sulfate. Docking/DFT/POM structural analysis.
Ben Hadda T, Berredjem M, Almalki FA, Rastija V, Jamalis J, Emran TB, Abu-Izneid T, Esharkawy E, Rodriguez LC, Alqahtani AM. Ben Hadda T, et al. Among authors: jamalis j. J Biomol Struct Dyn. 2022;40(19):9429-9442. doi: 10.1080/07391102.2021.1930161. Epub 2021 May 25. J Biomol Struct Dyn. 2022. PMID: 34033727 Free PMC article.
In vitro and in vivo evaluation of the antimicrobial, antioxidant, cytotoxic, hemolytic activities and in silico POM/DFT/DNA-binding and pharmacokinetic analyses of new sulfonamide bearing thiazolidin-4-ones.
Hassan SA, Aziz DM, Abdullah MN, Bhat AR, Dongre RS, Hadda TB, Almalki FA, Kawsar SMA, Rahiman AK, Ahmed S, Abdellattif MH, Berredjem M, Sheikh SA, Jamalis J. Hassan SA, et al. Among authors: jamalis j. J Biomol Struct Dyn. 2024 Apr;42(7):3747-3763. doi: 10.1080/07391102.2023.2226713. Epub 2023 Jul 4. J Biomol Struct Dyn. 2024. PMID: 37402503
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
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.
29 results