INVESTIGATION OF ESSENTIAL OILS COMPONENTS AS POTENTIAL DISINFECTANTS INHIBITORS OF SARS–COV–2 SPIKE GLYCOPROTEIN
DOI:
https://doi.org/10.15421/jchemtech.v32i1.283321Keywords:
COVID-19, SARS-CoV-2; homology modeling; molecular docking; natural compounds; disinfectantsAbstract
SARS-CoV-2, deadly virus first reported in 2019 rapidly spread around the globe causing COVID-19. To control the proliferation of the vires governments took measures such as disinfections of public places, mask mandates and social distancing. As a result of a mass disinfection of public places, large amounts of various disinfectants were continuously released into the waste waters causing significant impact on the environment. This large-scale pollution of ground waters, and a possible environmental crisis, led the scientific community towards developing alternative, eco-friendly, and biodegradable products for disinfection. Due to the relatively large mutation rate of SARS-CoV-2 virus, it became crucial to become proactive with the utilization of research approaches, hence, the theoretical investigation appeared to be the best course of action. Thus, in this work, we combined two aims: first, creating the benchmark for building efficient homology models of spike glycoproteins receptor-binding domain from different SARS-CoV-2 variants; and the second aim, being a practical application, scanning a database of natural compounds as potential disinfectant products.
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