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2022 5
2023 3
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Page 1
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: laaroussi h. 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.
Potential SARS-CoV-2 RdRp inhibitors of cytidine derivatives: Molecular docking, molecular dynamic simulations, ADMET, and POM analyses for the identification of pharmacophore sites.
M A Kawsar S, Hosen MA, Ahmad S, El Bakri Y, Laaroussi H, Ben Hadda T, Almalki FA, Ozeki Y, Goumri-Said S. M A Kawsar S, et al. Among authors: laaroussi h. PLoS One. 2022 Nov 28;17(11):e0273256. doi: 10.1371/journal.pone.0273256. eCollection 2022. PLoS One. 2022. PMID: 36441684 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: laaroussi h. 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.
Drug design of new therapeutic agents: molecular docking, molecular dynamics simulation, DFT and POM analyses of new Schiff base ligands and impact of substituents on bioactivity of their potential antifungal pharmacophore site.
Akkoc S, Karatas H, Muhammed MT, Kökbudak Z, Ceylan A, Almalki F, Laaroussi H, Ben Hadda T. Akkoc S, et al. Among authors: laaroussi h. J Biomol Struct Dyn. 2023 Aug-Sep;41(14):6695-6708. doi: 10.1080/07391102.2022.2111360. Epub 2022 Aug 13. J Biomol Struct Dyn. 2023. PMID: 35968554
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: laaroussi h. 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
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: laaroussi h. 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