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

S. Jeyavijayan1,*,, M. Ramuthai1, and Palani Murugan2,

1Department of Physics, Kalasalingam Academy of Research and Education, Krishnankoil-626126, India

2Department of Physics, Dr. B.R. Ambedkar Institute of Technology, Port Blair-744103, Andaman & Nicobar Islands, India

*Corresponding author: E-mail: sjeyavijayan@gmail.com

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, α-Santonin, Cervical cancer.

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