In silico Investigation of Natural compounds identified from Ocimum species as Dengue NS3 and NS5 Protein Inhibitors

Abstract

Nature has bestowed on us a very rich botanical wealth. Plants are the richest resource of drugs molecules for modern medicines, nutraceuticals, traditional medicine and even chemical entities for synthetic drugs. Ocimum species (Tulasi) is a well-known medicinal plant which has used in the six Indian systems of medicine from ancient times. The latest review on the Ocimum species revealed that the species holds a very good antiviral activity. For last few years the prevalence of dengue has increased dramatically in both urban and rural area of India. The current management of Dengue is mainly symptomatic and supportive treatment with fluid management. The main purpose of this study was to analyze the inhibitory action of phytochemical compounds were identified from the plant species Ocimum through literature survey by computational docking studies. Thus docking result revealed that only one compound Bornyl acetate exhibited the best binding interaction with in the active site of the dengue viral protein through hydrogen bonding interaction. Further in vitro studies on Bornyl acetate compounds from the Ocimum species can lead to the discovery of novel viral inhibitor.