Chitosan, from crayfish wastes, as a Possible Therapeutic Option against COVID-19; an In- Silico Perspective

Document Type : Original Article

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Abstract

Human coronavirus SARS-CoV-2 is the causative agent for the COVID-19 pandemic we are encountering nowadays. With the rapid spread of the contagious virus, it is urgent to find possible therapeutics. Chitosan is a naturally occurring polymer found in animals and plants. Antiviral and antibacterial activities of chitosan were documented. In the current study, the association of chitosan with the viral spike protein was assessed utilizing computational techniques. Molecular docking, combined with molecular dynamics, was used to test the binding affinity of chitosan to SARS-CoV-2 spike protein. The results suggest excellent binding potency of the chitosan to SARS-CoV-2 spike receptor-binding domain (RBD). These results are based on the docking and the interaction dynamics. Chitosan was able to form eight contacts (H-bonds and a few salt bridges) with the spike receptor-binding domain (RBD) near the angiotensin-converting enzyme 2 (ACE2) and glucose regulating protein 78 (GRP78) recognition surfaces. Thus, chitosan can be a successful candidate against COVID-19; however, the in-silico results are yet to be validated experimentally. The current data were submitted to the Egyptian Academy of Scientific Research and Technology (ASRT) patent office with the registration number of 1602/2020.

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