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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: almalki fa. 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 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: almalki fa. 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: almalki fa. 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.
Crystallographic study, biological assessment and POM/Docking studies of pyrazoles-sulfonamide hybrids (PSH): Identification of a combined Antibacterial/Antiviral pharmacophore sites leading to in-silico screening the anti-Covid-19 activity.
Chalkha M, Nakkabi A, Hadda TB, Berredjem M, Moussaoui AE, Bakhouch M, Saadi M, Ammari LE, Almalki FA, Laaroussi H, Jevtovic V, Yazidi ME. Chalkha M, et al. Among authors: almalki fa. J Mol Struct. 2022 Nov 5;1267:133605. doi: 10.1016/j.molstruc.2022.133605. Epub 2022 Jun 28. J Mol Struct. 2022. PMID: 35782312 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: almalki fa. 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
58 results