Evaluation of traditional ayurvedic Kadha for prevention and management of the novel Coronavirus (SARS-CoV-2) using in silico approach

Abstract

Since the emergence of novel Coronavirus (SARS-CoV-2) infection in Wuhan, China in December 2019, it has now spread to over 205 countries. The ever-growing list of globally spread corona virus-19 disease (COVID-19) patients has demonstrated the high transmission rate among the human population. Currently, there are no FDA approved drugs or vaccines to prevent and treat the infection of the SARS-CoV-2. Considering the current state of affairs, there is an urgent unmet medical need to identify novel and effective approaches for the prevention and treatment of COVID-19 by re-evaluating the knowledge of traditional medicines and repurposing of drugs. Here, we used molecular docking and molecular dynamics simulation approach to explore the beneficial roles of phytochemicals and active pharmacological agents present in the Indian herbs which are widely used in the preparation of Ayurvedic medicines in the form of Kadha to control various respiratory disorders such as cough, cold and flu. Our study has identified an array of phytochemicals present in these herbs which have significant docking scores and potential to inhibit different stages of SARS-CoV-2 infection as well as other Coronavirus target proteins. The phytochemicals present in these herbs possess significant anti-inflammatory property. Apart from this, based on their pharmaceutical characteristics, we have also performed in-silico drug-likeness and predicted pharmacokinetics of the selected phytochemicals found in the Kadha. Overall our study provides scientific justification in terms of binding of active ingredients present in different plants used in Kadha preparation with viral proteins and target proteins for prevention and treatment of the COVID-19.

Short term UV-B radiation mediated modulation of physiological traits and withanolides production in Withania coagulans (L.) Dunal under in-vitro condition

“…The major bioactive chemical constituents of this plant are withanolides which are chemically C 28 triterpenoid steroidal lactone and responsible for its medicinal virtue. Recently, it has also been reported that withanolides can be potentially used to cure novel coronavirus (SARS-CoV-2) as an immune booster and anti-viral agent (Maurya and Sharma 2020 ). Biosynthesis of withanolides takes place utilizing two different pathways, one is mevalonate pathway which is localized in cytosol and another is 2-C-methyl-D-erythritol-4-phosphate (MEP) pathway localized in the plastid.…”

In silico study of some selective phytochemicals against a hypothetical SARS-CoV-2 spike RBD using molecular docking tools

“…The decoction (known as kadha in Indian Ayurveda system) prepared from these herbs is commonly used against common cold and is suggested to be effective against COVID-19 pathogenesis. Maurya and Sharma [ 60 ] had undertaken an in silico approach to study the beneficial effect of major phytochemicals present in kadha against,SARS-CoV-2. Further, Gautam and coworkers [ 61 ] reported that such herbal decoction possessed significant anti-viral and immunomodulatory properties.…”

Fight against COVID-19: Survey of Spices & Herbs Used in North India

“…An array of phytochemicals has been found to have significant docking scores and potential to inhibit different stages of SARS-CoV-2 infection as well as significant anti-inflammatory property. The authors claim that study provides evidence of the binding of active ingredients present in different plants used in Kadha preparation with viral proteins and target proteins for prevention and treatment of the COVID-19 [25].…”