Abstract
The present wellbeing worry to the whole world is the outbreak of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), also called COVID-19. This global health crisis first appeared in Wuhan, China around December 2019 and due to its extremely contagious nature it had spread to almost 187 countries. Still now no effective method of treatment or vaccine is developed for controlling the disease. Therefore, the sole obliging strategy is to take precautionary measures by repurposing drugs from the pre-existing library of therapeutically potent molecules. In this situation of pandemic this repurposing technique may save the labour-intensive and tiresome process of new drug development. Orientin is a natural flavonoid with several beneficial effects. This phytochemical can be isolated from different plants like tulsi or holy basil, black bamboo, passion flowers etc. It's antiviral, anti-inflammation, vasodilatation, cardioprotective, radioprotective, neuroprotective, anticarcinogenic and antinociceptive effects are already established. In this research, it is intriguing to find out whether this molecule can interfere the interaction of SARS-CoV-2 spike glycoprotein and their host receptor GRP78. Our in silico docking and molecular dynamics simulation results indicate the binding of Orientin in the overlapping residues of GRP78 binding region of SARS-CoV-2 spike model and SARS-CoV-2 spike model binding region of GRP78 substrate-binding domain. Therefore, the results included in this research work provide a strong possibility of using Orientin as a promising precautionary or therapeutic measure for COVID-19.
Highlights
The latest emergence of pandemic threat of novel corona virus disease (COVID-19) by the pathogenic Severe Acute Respiratory Syndrome Coronavirus 2 is responsible for global risk of public health [1]
Natural flavonoid orientin is found to bind in silico to the domain of SARS-CoV-2 spike model which is responsible for receptor binding
It is predicted that Orientin may bind to the overlapping amino acid residues of SARS-CoV-2 spike essential for SARS-CoV-2 spike – host cell receptor Glucose Regulating Protein 78 (GRP78) binding
Summary
The latest emergence of pandemic threat of novel corona virus disease (COVID-19) by the pathogenic Severe Acute Respiratory Syndrome Coronavirus 2 is responsible for global risk of public health [1]. SARS viruses have vivid plethora of host animals like birds, pangolins, domestic animals like dogs etc, whereas SARS-CoV-2 seems to be more pathogenic to human [6,7] This is a virus with single stranded RNA genome of around 30 Kbs with low number of encoded proteins involved in structural and non-structural features of this member of genus Betacoronavirus [8,9,10]. Proteases (nsp and nsp5) and RdRp (nsp 12) are the major non-structural proteins of this type of virus [8] Out of these different types of protein spike protein is vital for viral attachment and entry to the host cells as they work as recognition factor. Binding affinity can be observed in some of these regions with host receptor proteins of SARS-CoV-2 like GRP78 [13]
Sign-in/Register to view highlights & summary Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
