Investigating Potential Part of &alpha;-Santonin in the Treatment of SARS-CoV-2 and Cervical Cancer based on Molecular Docking Strategy

S. Jeyavijayan; M. Ramuthai; Palani Murugan

doi:10.14233/ajchem.2021.23308

Issue

Vol. 33 No. 10 (2021): Vol 33 Issue 10, 2021

Issue Published : September 20, 2021

This work is licensed under a Creative Commons Attribution 4.0 International License.

Investigating Potential Part of α-Santonin in the Treatment of SARS-CoV-2 and Cervical Cancer based on Molecular Docking Strategy

https://doi.org/10.14233/ajchem.2021.23308%20

S. Jeyavijayan

Department of Physics, Kalasalingam Academy of Research and Education, Krishnankoil-626126, India

M. Ramuthai

Department of Physics, Kalasalingam Academy of Research and Education, Krishnankoil-626126, India

Palani Murugan

Department of Physics, Dr. B.R. Ambedkar Institute of Technology, Port Blair-744103, Andaman & Nicobar Islands, India

Corresponding Author(s) : S. Jeyavijayan

sjeyavijayan@gmail.com

Asian Journal of Chemistry, Vol. 33 No. 10 (2021): Vol 33 Issue 10, 2021
Article Published : September 20, 2021

Abstract

The widespread of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has been posturing extraordinary dangers globally. Additionally, cervical cancer is also the most predominant threatening tumor among ladies around the world. The investigation has progressively centered on improving treatments, such as anti-angiogenic and anti-hepatoma drugs. The conceivable inhibitory action of α-santonin, which has a good interacting affinity with the active protein sites of human SARS-COV-2 and cervical cancer was screened in this work. The molecular properties such as NBO, MEP, HOMO-LUMO, Mulliken charge and NMR studies have been performed by the DFT-B3LYP strategy. Present computational outcomes explain that α-santonin particle can be utilized as a specialist within the worldwide fight against SARS-CoV-2 and cancer treatment.

Keywords

SARS-CoV-2 Docking studies Cervical cancer α-Santonin

Jeyavijayan, S., Ramuthai, M., & Murugan, P. (2021). Investigating Potential Part of α-Santonin in the Treatment of SARS-CoV-2 and Cervical Cancer based on Molecular Docking Strategy. Asian Journal of Chemistry, 33(10), 2313–2320. https://doi.org/10.14233/ajchem.2021.23308

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S.D. Kanmazalp, M. Macit and N. Dege, J. Mol. Struct., 1179, 181 (2019); https://doi.org/10.1016/j.molstruc.2018.11.001

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