AN IN-SILICO INVESTIGATION ON ANTI-SARS-COV-2 ACTIVITY OF KABASURAKUDINEER AND THONTHASURAKUDINEER

Authors

  • Parvatha Raja Kumaran V S
  • Dr. Balasekar Premkumar
  • Meghana K
  • Chetan A

Abstract

Background: The novel severe acute respiratory syndrome coronavirus 2 (nSARS-CoV2), causing corona viral disease 2019, (COVID-19), is an important health concern to the entire globe. It started its journey from Wuhan, seafood market, spread to almost all the countries of the world, and has high contagious potential. Only precautionary measures such as social distancing, wearing masks, and regularly sanitizing the surfaces could prevent the disease, and no drugs or vaccines have been identified. In this situation, new drug invention is a challenging task, and the possibilities are repurposing strategies and exploration of phytochemical investigations, to identify the potent therapeutic molecules. At present, KabasuraKudineer and ThonthasuraKudineer are used by the Siddha medical practitioners as immunomodulators medications to treat viral infections and respiratory diseases. Aim:In this context, the current study aims to explore the antiviral potential of the chief phytoconstituents of these by in-silico approach.Materials and methods: In this study we docked the SARS-CoV-2 viral proteins with the main phytoconstituents of KabasuraKudineer and ThonthasuraKudineer, to assess their binding and inhibitory potential. For docking studies Grid-based Ligand and Docking with Energetics GLIDE module implemented inMaestro 12.5 version of Schrodinger LLC was used, and we also assessed the pharmacokinetic properties. Key findings: The docking results reveal most of the phytoconstituents of these formulations possess promising features of binding to COVID-19 proteins. Among these molecules, Luteolin, Vitexin, Chrysoeriol, Amentoflavone were found to possess higher binding affinities to COVID-19 proteins, by docking studies.

Keywords: SARS-CoV-2, KabasuraKudineer, ThondusaraKudineer, Molecular docking, COVID-19

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Published

2019-12-03

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Original Research Article