In-silico STUDIES ON DIFFERENT THIAZOLIDINONE DERIVATIVES OF BENZILIC ACID TOWARDS COVID MAIN PROTEASE

ABSTRACT

In today’s world wide viral diseases caused by viruses cause severe morbidity and mortality. Most of the viral infections do not have any proper medications including corona viruses caused infection. The present work emphasises the development of potent inhibitors towards the Covid-19 virus using a hybrid pharmacophore approach. The benzilic acid thiazolidinone derivatives were prepared by reaction of alkyl/ar-ylthiosemicarbazides with 2-bromopropionate in the presence of anhydrous sodium acetate in absolute ethanol from benzilic acid hydrazide. Compound which consists of (–C=N–N–), the two interlinked nitrogen atoms have been found to possess many biological activities. The compound (Z)-2,2-bis(4-chlorophenyl)-N′-(3-ethyl-5-methyl-4-oxothiazolidin-2-ylidene)-2-hydroxyacetohydrazide (TZD-7) showed good docking score –10.21 kcal/mol when compared to the reference ligand used for the study. Also the compounds has good interaction with the active site of the protein with the aminoacids His41, Tyr54, Phe140, Leu141, Asn142, Gly143, Ser144, Cys145, His163, His164, Met165, Glu166, Leu167, Pro168, His172, Asp187, Arg188, Gln189, Thr190, Gln192 which makes the molecule more potent. By improving the discovery of new potent inhibitors with new mechanisms, the mutant viruses can be neglected and with new antiviral agents with new mechanisms the drug resistant pathogens can be eradicated. © 2022, Scibulcom Ltd.. All rights reserved.