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In silico evaluation of molecular interactions between macrocyclic inhibitors with the HCV NS3 protease. Docking and identification of antiviral pharmacophore site.
Lafridi H, Almalki FA, Ben Hadda T, Berredjem M, Kawsar SMA, Alqahtani AM, Esharkawy ER, Lakhrissi B, Zgou H. Lafridi H, et al. Among authors: kawsar sma. J Biomol Struct Dyn. 2023 Apr;41(6):2260-2273. doi: 10.1080/07391102.2022.2029571. Epub 2022 Jan 25. J Biomol Struct Dyn. 2023. PMID: 35075979
Synthesis, antimicrobial, molecular docking and molecular dynamics studies of lauroyl thymidine analogs against SARS-CoV-2: POM study and identification of the pharmacophore sites.
Anowar Hosen M, Sultana Munia N, Al-Ghorbani M, Baashen M, Almalki FA, Ben Hadda T, Ali F, Mahmud S, Abu Saleh M, Laaroussi H, Kawsar SMA. Anowar Hosen M, et al. Among authors: kawsar sma. Bioorg Chem. 2022 Aug;125:105850. doi: 10.1016/j.bioorg.2022.105850. Epub 2022 May 4. Bioorg Chem. 2022. PMID: 35533581 Free PMC article.
Synthesis, antimicrobial, SAR, PASS, molecular docking, molecular dynamics and pharmacokinetics studies of 5'-O-uridine derivatives bearing acyl moieties: POM study and identification of the pharmacophore sites.
Munia NS, Hosen MA, Azzam KMA, Al-Ghorbani M, Baashen M, Hossain MK, Ali F, Mahmud S, Shimu MSS, Almalki FA, Hadda TB, Laaroussi H, Naimi S, Kawsar SMA. Munia NS, et al. Among authors: kawsar sma. Nucleosides Nucleotides Nucleic Acids. 2022;41(10):1036-1083. doi: 10.1080/15257770.2022.2096898. Epub 2022 Jul 7. Nucleosides Nucleotides Nucleic Acids. 2022. PMID: 35797068
In silico and POM analysis for potential antimicrobial agents of thymidine analogs by using molecular docking, molecular dynamics and ADMET profiling.
Hosen MA, Qais FA, Chtita S, Rahman IA, Almehdi AM, Ali F, Almalki FA, Hadda TB, Laaroussi H, Kawsar SMA. Hosen MA, et al. Among authors: kawsar sma. Nucleosides Nucleotides Nucleic Acids. 2023;42(11):877-918. doi: 10.1080/15257770.2023.2215839. Epub 2023 May 26. Nucleosides Nucleotides Nucleic Acids. 2023. PMID: 37235455
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: kawsar sma. 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
56 results