Title

Molecular docking and dynamics simulation of main protease of SARS-CoV-2 with naproxen derivative

Authors

Rageh K. Hussein^*, Mohammad Marashdeh & Ahmed M. El-Khayatt

Affiliation

Department of Physics, College of Science, Imam Mohammad Ibn Saud Islamic University (IMSIU), Riyadh, Saudi Arabia; *Corresponding author

Email

Rageh K. Hussein - E-mail: rahussein@imamu.edu.sa

Mohammad Marashdeh -E-mail: mwmarashdeh@imamu.edu.sa

Ahmed M. El-Khayatt - E-mail: amelhayatt@imamu.edu.sa

Article Type

Research Article

Date

Received April 1, 2023; Revised April 30, 2023; Accepted April 30, 2023, Published April 30, 2023

Naproxen is a well-known anti-inflammatory drug that is frequently used to relieve inflammation, stiffness, and swelling. Naproxen has previously demonstrated antiviral activity, particularly against the influenza-A virus. There have been previous studies regarding naproxen effect on SARS-CoV-2 infection. Therefore, it is of interest to document the molecular docking and dynamics simulation data of main protease of SARS-CoV-2 with naproxen derivative for further consideration.

Keywords

Naproxen derivative; SARS-CoV-2; drug-likeness and ADMET properties, Molecular docking; Molecular dynamics.

Citation

Hussein et al. Bioinformation 19(4): 358-361 (2023)

Edited by

P Kangueane

ISSN

0973-2063

Publisher

Biomedical Informatics

License

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.