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Molecular docking analysis of N-substituted Oseltamivir derivatives with the SARS-CoV-2 main protease.

ABSTRACT: The identification of chemotherapeutic drugs against Novel Coronavirus (2019-nCoV) is a significant requirement due to the rapid rise in deaths due to Corona Viral Infection all around the world. Therefore, it is of interest to document the molecular docking analysis data of 32 N-substituted Oseltamivir derivatives inhibitors of influenza virus H5N1 with the Novel Coronavirus main protease (2019-nCoV). We describe the optimal binding features of Oseltamivir derivatives with the SARS-Cov-2 main protease (Code PDB: 6LU7) for further consideration.

SUBMITTER: Belhassan A

PROVIDER: S-EPMC7434956 | biostudies-literature | 2020

REPOSITORIES: biostudies-literature

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Molecular docking analysis of N-substituted Oseltamivir derivatives with the SARS-CoV-2 main protease.

Belhassan Assia A Chtita Samir S Zaki Hanane H Lakhlifi Tahar T Bouachrine Mohammed M

Bioinformation 20200531 5

The identification of chemotherapeutic drugs against Novel Coronavirus (2019-nCoV) is a significant requirement due to the rapid rise in deaths due to Corona Viral Infection all around the world. Therefore, it is of interest to document the molecular docking analysis data of 32 N-substituted Oseltamivir derivatives inhibitors of influenza virus H5N1 with the Novel Coronavirus main protease (2019-nCoV). We describe the optimal binding features of Oseltamivir derivatives with the SARS-Cov-2 main p ...[more]

PMID: 32831522

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