Research Article
Volume 8 Issue 8 - 2020
Evaluation of Some Anti-Parasitic and Antifungal Drugs for their Binding Affinities to 3C-Like Protease of SARS-CoV-2: An In silico Approach
Khoshnur Jannat1, Md Aynal Haque Rana2, Tohmina Afroze Bondhon1, Anamul Hasan1, Rownak Jahan1 and Mohammed Rahmatullah1*
1Department of Biotechnology and Genetic Engineering, University of Development Alternative, Lalmatia, Dhaka, Bangladesh
2Human Biology, Faculty of Health and Medical Sciences, University of Copenhagen, Denmark
*Corresponding Author: Mohammed Rahmatullah, Professor and Dean, Faculty of Life Sciences, Department of Biotechnology and Genetic Engineering, University of Development Alternative, Lalmatia, Dhaka, Bangladesh.
Received: July 23, 2020; Published: August 29, 2020




Abstract

The new corona virus, which emerged near the end of December 2019, otherwise known as COVID-19 or SARS-CoV-2 has caused a pandemic, which has as of August 26, 2020 caused 24,112,329 infections and 824,717 deaths throughout the world. Although scientists are frantically trying to discover an effective vaccine or drug against this virus-induced disease, and despite obtaining promising leads, thus far an effective drug or vaccine remains to be discovered. Several already approved drugs against other diseases have been used with limited success against COVID-19 like hydroxychloroquine, ivermectin, and dexamethasone, but a total cure remains to be found. Since in silico approaches can give a rapid evaluation of the potential of a compound to bind to a target protein, we used molecular docking as an approach to evaluate the binding energies of some already approved anti-parasitic drugs for their binding affinities to the main protease of COVID-19, otherwise known as the 3C-like protease or 3CLpro, (PDB ID: 6LU7). Molecular docking (blind) was done with the help of Autodock Vina. It was observed that of the seven drugs tested, two drugs, namely praziquantel (used for schistosomiasis) and amphotericin B (an antifungal drug) showed good binding energies with the protease and so merit further study for their potential use as therapeutic agents for COVID-19.

Keywords: COVID-19; In Silico Approaches; Praziquantel; Amphotericin B; Pandemic

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Citation: Mohammed Rahmatullah., et al. “Evaluation of Some Anti-Parasitic and Antifungal Drugs for their Binding Affinities to 3C-Like Protease of SARS-CoV-2: An In silico Approach”. EC Pharmacology and Toxicology 8.8 (2020): 110-114.

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