Molecular Docking Studies of Synthetic and Natural Anti-Viral Agents Against Sars Covid 19 Main Protease


Authors : Abirami.G; Shanmugavel; R Jayavani.S; Kaviya.K; Nandiga.D

Volume/Issue : Volume 8 - 2023, Issue 2 - February

Google Scholar : https://bit.ly/3TmGbDi

Scribd : https://bit.ly/41RQPG9

DOI : https://doi.org/10.5281/zenodo.7710364

The first coronaviruses that were discovered to infect humans were known as 229E and OC43, but they only produced extremely minor infections that were comparable to the common cold. The potential for dangerous human infections was not realised until the epidemics of SARS (severe acute respiratory syndrome) and then MERS (Middle Eastern Respiratory Syndrome or camel flu). It is believed that those two illnesses originated in bats and travelled to civet cats and camels. The history of publications regarding coronaviruses shows how interest in them has fluctuated throughout time. The number of publications on corona-viruses gradually increased since their discovery in 1968, reaching two maxima after two epidemics: the SARS corona-virus outbreak in 2003–2004 and a porcine epidemic diarrhoea outbreak in North America in 2013. The discovery of the first cases of MERS in Saudi Arabia in 2012—a disease similarly brought on by the coronavirus—may have played a role. While there will be more than 4 million COVID-19 patients by May 16, 2020, the World Health Organization (WHO) has listed cancer as one of the top 10 major causes of mortality. This work deals with 4 different proteins that docked with various antiviral medicines derived from natural and synthetic sources, utilising Auto dock Vina 4.2.6. Molecular docking helps to find compounds such as antiviral medications with possible inhibitory activity. A number of studies have demonstrated that the surface area at the interface directly correlates with binding affinity and that the hydrophobicity of the interacting protein molecule increases the selectivity of the binding domain.

Keywords : Drug Repurposing, Inhibitory Action, Molecular Docking, SARS-COV-2 Nucleocapsid, Htra-Type Protease Algw withTri-Peptide, COVID-19.

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