Potential of Inhibiting the Receptor Binding Mechanism of SARSCOV-2 Using Phytochemical Extracts of Medicinal Herb; Moleculer Docking Study

Abstract

The Corona Viral Infective Disease (COVID-19), which leads to Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) is caused a pandemic situation globally. World Health Organization (WHO) declared that COVID-19 as a Public Health Emergency of International Concern (PHEIC) on January 30, 2020. Intend of this study is divulge the chemistry behind the phenomenon of viral (SARS-CoV-2) attachment on human epithelial cells as well as evaluate the receptor blocking abilities of selected herbal compounds. Significant anti- viral compounds were identified via review process of medicinal plants and Ferula asafetida, Glycyrrhiza glabra, Curcuma longa, Zingiber officinale etc. are widely used plant species for drugs against viral infectious diseases in Ayurveda medicine. Molecular docking prognosis have been carried out to demonstrate any possible secondary metabolites present in several anti-microbial herbs that could act as blocking agents ofACE2 and GRP78 receptors of epithelial cells to baffle the binding of receptor-binding domain (RBD) sections of SARS-CoV-2. Computational findings reveal that Phyto-chemicals such as Conferone, Samarcadin, Bdrakemin Famesiferol A, Femesiferol C and Galbanic acid isolated from Ferula asafetida have intensive binding energies for ACE2 receptor binding process. Apart from that Hederagenin and Ursolic also shows highest inhibitory potential towards human ACE2.When considering GRP78, almost all isolated compounds in oligo-gum resins ofFeru1a asafetida trot out perfect binding ability towards the active site of GRP78 receptor. Hence, it is worth to pay more attention on natural phytochemicals for mitigating of human infections.