In Silico Identification of Potential Inhibitors of Substituted Quinazolin-4-One against Main Protease and Spike Glycoprotein of Sars Cov-2

Abstract

Quinazolin-4-one have been used to therapy a lot of afflictions of humans legendary works exemplify that it possesses various biological activities. In this research is proposed to discover the synthetic derived pyrazolone fused quinazolin-4-one and Spike protein of sars Co V II and to understand the Insilico molecular origin of its activity. Even though chemistry of quinazolin 4 one being as an recognized area , day by day newer more complex derivatives are still being discovered. Moreover, an assortment of prose quinazolinone exibits a strong lactam-lactim tautomeric interaction and further when the methyl group is present in the second position, the tautomeric effect is increased, including structural activity relationship studies of the ring system describe that the position 2,6,8 are very much important for structure activity studies as well as inclusion of different heterocyclic moieties at position 3 could be enhances the different types of biological activity as well as Antiviral activity. The newly designed and synthesized compounds which is subjected to docking analysis as well as Computational study was performed using Auto dock 4, soon after admetSAR, also pkCSM Servers, were used to investigate drug likeness prophecy. This study suggested that the designed novel pyrazolone fused quinazolin-4-one derivatives (QPZ1-QPZ5) which are likely against the Sars COV-2 enzymes with excellent binding affinity , further obey’s Lipinski rule. Utilizing contemporary strategies, these novel synthetic molecule origins might establish a reliable medication or support potential lead identification. Identified potential compounds can be further taken for experimental studies, spectral analysis.