IDAAM Publications

Volume 1

July-December 2024

In-silico ADME analysis of 2-phenyl-3-(substituted benzo[d]-thiazol-2-ylamino)-quinazoline-4(3H)-one derivatives as potent antitubercular agents

Akshay R Yadav​

Abstract:
2-phenyl-3-(substituted benzo[d] thiazol-2-ylamino)-quinazoline-4(3H)-one is an attractive target for medicinal compounds due to its unique chemical properties and biological activity. Quinazoline nucleus is a versatile pharmacophore with antimicrobial, antitubercular, anticancer, CNS depressant, antioxidant, antiviral, and antidiabetic properties, among others. In previous research 2-phenyl-3-(substituted benzo[d] thiazol-2-ylamino)-quinazoline-4(3H)-one derivatives with help of docking study and pharmacological activity was found to be antitubercular activity. In present student study we tried to explore its ADME prediction. SwissADME is tool focus on specific property and it is most relevant computational methods provides pharmacokinetics properties of small molecules. A various in-silico methods share the aim of ADME prediction from molecular structure. The ADME properties including blood brain barrier, GI absorption, aqueous solubility and skin permeability were evaluated for these molecules. ADME screening was carried out to know efficacy of molecules before proceeding to in-vivo or in-vitro assays.
Keywords: ADME analysis, SwissADME,Antitubercular agents, Blood brain barrier, GI absorption.