Exploring the Potential of Natural Compounds Against Pro-Inflammatory Cytokine Proteins Involved in Worsening COVID-19 and Against COVID-19 Proteins: An in Silico Approach

Abstract

Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) is a causative agent for global pandemic disease nCOVID’19, has directed the attention of the scientific community towards the development of effective vaccines and drugs. Attempts are being made for repurposing existing drugs known for their antiviral activities, and test the traditional herbal medicines, natural compounds, nutraceuticals known for their health benefiting and immune-boosting activity against SARSCoV-2. Multidimensional approach is employed to find effective drugs against SARS-CoV2. In this study, 108 natural compounds were examined in inhibiting human protein targets which are responsible for worsening the condition of COVID-19 through a virtual screening approach. This study has screened the natural compounds 3-Hydroxydecanedioic acid, Cucurbitacin S, Diosgenin which may exhibit inhibitory activity against IL-1 receptor,IL-6 receptor respectively. It has also revealed that Dihydro-beta-ergocryptine and cucurbitacin S may exhibit inhibitory activity against TNF-alpha receptor. Further it concluded that exfoliazone shows better inhibitory activity against P38-MAPK and NF-κB pathway inhibitory proteins. These natural compounds could lead the way for future drug discovery, design and development. This will help researchers to scout new drugs in drug discovery(in-vitro and in-vivo studies).