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Immunoinformatics-guided design of an epitope-based vaccine against severe acute respiratory syndrome coronavirus 2 spike glycoprotein.
Rakib A, Sami SA, Mimi NJ, Chowdhury MM, Eva TA, Nainu F, Paul A, Shahriar A, Tareq AM, Emon NU, Chakraborty S, Shil S, Mily SJ, Ben Hadda T, Almalki FA, Emran TB. Rakib A, et al. Among authors: almalki fa. Comput Biol Med. 2020 Sep;124:103967. doi: 10.1016/j.compbiomed.2020.103967. Epub 2020 Aug 13. Comput Biol Med. 2020. PMID: 32828069 Free PMC article.
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: almalki fa. 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 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.
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
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. 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
59 results