Preprint / Version 1

Computational analysis of the phytocompounds of Mimusops elengi against spike protein of SARS CoV2 – An Insilico model

Authors

  • A Ramesh aDepartment of Biotechnology, Vel Tech High Tech Dr. Rangarajan Dr. Sakunthala Engineering College, Avadi, Chennai 600062, Tamil Nadu, India
  • S Adarshan bDepartment of Biotechnology, Alagappa University, Karaikudi 630003, Tamil Nadu, India
  • Hamad Lohedan cDepartment of Chemistry, College of Science, Kind Saud University, Riyadh 11451, Saudi Arabia
  • T Kumar aDepartment of Biotechnology, Vel Tech High Tech Dr. Rangarajan Dr. Sakunthala Engineering College, Avadi, Chennai 600062, Tamil Nadu, India
  • MR Nasrin aDepartment of Biotechnology, Vel Tech High Tech Dr. Rangarajan Dr. Sakunthala Engineering College, Avadi, Chennai 600062, Tamil Nadu, India
  • G Shree aDepartment of Biotechnology, Vel Tech High Tech Dr. Rangarajan Dr. Sakunthala Engineering College, Avadi, Chennai 600062, Tamil Nadu, India
  • Yuvaraj Dinakarkumar aDepartment of Biotechnology, Vel Tech High Tech Dr. Rangarajan Dr. Sakunthala Engineering College, Avadi, Chennai 600062, Tamil Nadu, India
  • Jothi Rajabathar cDepartment of Chemistry, College of Science, Kind Saud University, Riyadh 11451, Saudi Arabia
  • Muthusamy Karnan dGrassland and Forage Division, National Institute of Animal Science, Rural Development Administration, Sejong, South Korea

Keywords:

M. elengi, Covid 19, Molecular docking, Binding energy, Therapeutic application, Conventional medicine

Abstract

The COVID-19 pandemic has been a global health crisis for over three years now, with the virus causing widespread illness and death. The urgent need for safe and effective therapeutic drugs has prompted the exploration of alternative medicine systems such as Ayurveda and Siddha. This study focuses on the potential therapeutic properties of the Ayurvedic plant, Mimusops elengi. In silico techniques were employed to analyze the bioactivity of the plant, including target prediction, gene ontology analysis, OMIM analysis, and molecular docking analysis. The results revealed 36 phytocompounds that interacted with 1431 receptors in the human body, and two compounds - hederagenin and quercetin - showed exceptionally high binding affinities toward their corresponding receptors, IL6 and MMP9. These results provide important insight into the potential therapeutic activity of M. elengi and its compounds in combating COVID-19. However, further research and clinical trials are necessary to validate these findings and develop safe and effective drugs. The study highlights the importance of combining traditional medicine with modern scientific methods to find effective treatments for global health challenges. Keywords: M. elengi, Covid 19, Molecular docking, Binding energy, Therapeutic application, Conventional medicine

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