Evaluation of traditional ayurvedic Kadha for prevention and management of the novel Coronavirus (SARS-CoV-2) using in silico approach was written by Maurya, Dharmendra Kumar;Sharma, Deepak. And the article was included in Journal of Biomolecular Structure and Dynamics in 2022.Formula: C19H16O4 The following contents are mentioned in the article:
Since the emergence of novel Coronavirus (SARS-CoV-2) infection in Wuhan, China in Dec. 2019, it has now spread to over 205 countries. 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 mol. docking and mol. dynamics simulation approach to explore the beneficial roles of phytochems. and active pharmacol. 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 phytochems. 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 phytochems. 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 phytochems. 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. This study involved multiple reactions and reactants, such as Bisdemethoxycurcumin (cas: 33171-05-0Formula: C19H16O4).
Bisdemethoxycurcumin (cas: 33171-05-0) belongs to ethers. Volatile esters with characteristic odours are used in synthetic flavours, perfumes, and cosmetics. Certain volatile esters are used as solvents for lacquers, paints, and varnishes. Esterification is the general name for a chemical reaction in which two reactants (typically an alcohol and an acid) form an ester as the reaction product. Esters are common in organic chemistry and biological materials.Formula: C19H16O4
Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem