MOLECULAR DOCKING AND IN-SILICO ADMET ANALYSIS OF POTENTIAL ANTIVIRAL COMPOUNDS FROM Calophyllum inophyllum L. AND Selaginella bryopteris L. AGAINST COVID-19 MAIN PROTEASE

The SARS-COV-2 produced the severe acute respiratory disorders;(Coronavirus 2019[COVID -19] which is responsible for the global pandemic. Despite extensive research, there are still no specific drugs or vaccines to combat SARS-COV-2 infection. Amentoflavone compounds and its four derivatives (Isochamaejasmin,Sikokianin B, Wikstaiwanone B,Wikstaiwanone A) were selected from Calophyllum inophyllum and Selaginella bryopteris. Five plant based anti viral compounds have been selected to examine the inhibitory profiles Via Molecular docking and ADMET analysis by using iGEMDCK Software and ADMETlab2.0 Respectively, for the evaluation against Covid-19 Main protease. This study results have shown very good interaction of plant compounds against the drug targets and H bonds have also formed to enhance the binding complex stability. Among the five compounds, higher binding value compounds have rejected, these compounds are not acceptable for Lipinski’s rule of five, therefore there are risk factors for the intake of these antiviral compounds.From this is study we can conclude that these compounds cannot be consumed. © 2022 University of Stockholm. All rights reserved.

Ayurvedic antiviral agents: Overview of medicinal plants perspective

In recent years, it has been reported that many herbal plants contain antiviral agents which combat a human disease that is caused by pathogenic viruses. The natural products which are obtained from plants as antiviral agents against viruses have gone through researches to check the efficacy and potentials of the herbal products in the prevention of viral disorders. On the basis of randomized controlled studies and in-vivo studies, and in-vitro studies, some agents are utilized all across the globe. Progressively numerous studies on therapy of antivirals have been increased. Though, efficacy remains disputable for antiviral drugs that are employed for viral disorders. The viral diseases are challenging for the health of people around the world cause significant increase in mortality and enhance crises. There are many synthetic antiviral drugs that have a large number of side effects and have narrow therapeutic window range, while in the other hand herbal formulations have minimized side effects. The advantages of herbal formulation over synthetic drugs encourage us to devise and expand new herbal moieties against the emerging viral infections. The medicinal plants contain phytochemicals that have antiviral properties. In this paper, the activity of antiviral agents from medicinal plants which have importance in Ayurveda, are discussed along with their source.