Preprint Review Version 1 Preserved in Portico This version is not peer-reviewed

Phytochemicals as Therapeutics Against COVID-19: An In-Silico Study

Version 1 : Received: 25 December 2020 / Approved: 28 December 2020 / Online: 28 December 2020 (16:51:12 CET)

How to cite: Koiri, D.; Chakraborty, D.; Das, P.; Rana, R.; Chatterjee, S.; Das, T.; Dhal, P.K. Phytochemicals as Therapeutics Against COVID-19: An In-Silico Study. Preprints 2020, 2020120708 (doi: 10.20944/preprints202012.0708.v1). Koiri, D.; Chakraborty, D.; Das, P.; Rana, R.; Chatterjee, S.; Das, T.; Dhal, P.K. Phytochemicals as Therapeutics Against COVID-19: An In-Silico Study. Preprints 2020, 2020120708 (doi: 10.20944/preprints202012.0708.v1).

Abstract

Since December 2019, the worldwide spread of COVID-19 has brought the majority of the world to a standstill, affecting daily lives as well as economy. Under these conditions, it is imperative to develop a cure as soon as possible. On account of some of the adverse side effects of the existing conventional drugs, researchers all around the world are screening natural antiviral phytochemicals as potential therapeutic agents against COVID-19. This paper aims to review interactions of some specific phytochemicals with the receptor binding domain (RBD) of the Spike glycoprotein of SARS-CoV-2 and suggest their possible therapeutic applications. Literature search was done based on the wide array of in-silico studies conducted using broad spectrum phytochemicals against SARS-CoV-2 and other viruses. We shortlisted 26 such phytochemicals specifically targeting the S protein and its interactions with host receptors. To validate the previously published results, we also conducted molecular docking using the AutoDockVina application and identified 6 high potential phytochemicals for therapeutic use based on their binding energies. Besides this, availability of these compounds, their mode of action, toxicity data and cost-effectiveness were also taken into consideration. Our review specifically identifies 6 phytochemicals that can be used as potential treatments for COVID-19 based on their availability, toxicology results and low costs of production. However, all these compounds need to be further validated by wet lab experiments and should be approved for clinical use only after appropriate trials.

Subject Areas

Phytochemicals; SARS-CoV-2; S-Protein; Molecular docking; ACE 2

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