IDAAM Publications

Volume 1

July-December 2024

In-silico ADME analysis of N-(substituted)-5-phenyl-1,3,4-thiadiazol-2-amine as potent tubulin inhibitors

Akshay R Yadav​

Abstract:
Tubulin dynamics have a distinct role in cell division. Some of the drugs affect the microtubulin dynamics and thus cause either polymerization or depolymerization and thereby alter cellular replication. So at the mechanistic level, tubulin is one of the most attractive and challenging approaches for designing new anticancer compounds. In previous research triazole derivatives with help of docking study and pharmacological activity was found to be tubulin inhibitor in present student study we tried to explore its ADME prediction. The ADME properties including blood brain barrier, GI absorption, aqueous solubility and skin permeability were evaluated for these molecules. A various in-silico methods share the aim of ADME prediction from molecular structure. SwissADME is tool focus on specific property and it is most relevant computational methods provides pharmacokinetics properties of small molecules. ADME screening was carried out to know efficacy of molecules before proceeding to in-vivo or in-vitro assays.
Keywords: 1,3,4-thiadiazoleADME prediction, SwissADME, Blood brain barrier, GI absorption, Skin permeability.