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.

Keywords: COVID-19; Coronavirus; H5N1; SARS-CoV-2; molecular docking; oseltamivir.

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

^{Molecular Chemistry and Natural Substances Laboratory, Faculty of Science, Moulay Ismail University of Meknes, Morocco}

^{Laboratory of physical chemistry and materials, Faculty of science Ben M'Sik, Hassan II University of Casablanca, Casablanca, Morocco}

^{EST Khenifra, Sultan Moulay Sliman University, Benimellal, Morocco}

^{Mohammed Bouachrine}am.ca.imu-tse@enirhcauob.m

Received 2020 Apr 6; Revised 2020 Apr 22; Accepted 2020 Apr 22.

This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License.

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.

Keywords: Coronavirus, COVID-19, SARS-CoV-2, oseltamivir, H5N1, molecular docking

Abstract

Edited by P Kangueane

Citation: Belhassan et al. Bioinformation 16(5):404-410 (2020)

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