Molecular docking, pharmacophore modelling, MD simulation and in silico ADMET study reveals bitter cola constituents as potential inhibitors of SARS-CoV-2 main protease and RNA dependent-RNA polymerase

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作者： Oluyori, Abimbola Peter ^[1] ; Olanipekun, Bolatito Eunice ^[2] ; Adeyemi, Oluyomi Stephen ^[3] ; Egharevba, Godshelp Osas ; Adegboyega, Abayomi Emmanuel ; Oladeji, Oluwole Solomon

作者单位： Dept Chem Geol & Phys Sci,Kwara State Univ ^[1] Dept Chem & Ind Chem,Kwara State Univ ^[2] Dept Biochem,Univ Jos ^[3]

关键词 Pharmacophore modelling molecular docking simulation ADMET prediction bitter cola Garcinia biflavonoids COVID-19

发布时间 2023-07-06

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Journal of Biomolecular Structure and Dynamics

2023年41卷3/4期

1510-1525页

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Molecular docking, pharmacophore modelling, MD simulation and in silico ADMET study reveals bitter cola constituents as potential inhibitors of SARS-CoV-2 main protease and RNA dependent-RNA polymerase

Journal of Biomolecular Structure and Dynamics

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Journal of Biomolecular Structure and Dynamics

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Molecular docking, pharmacophore modelling, MD simulation and in silico ADMET study reveals bitter cola constituents as potential inhibitors of SARS-CoV-2 main protease and RNA dependent-RNA polymerase

Journal of Biomolecular Structure and Dynamics

相似文献

Journal of Biomolecular Structure and Dynamics

相关期刊

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