in-Silico ADME Analysis of 1, 3, 4-oxadiazole derivatives as CDK9 Inhibitors
Akshay R Yadav, Shrinivas K Mohite
Many drug targets have been identified in fighting against different types of cancer. Inhibition of cell cycle is strategy used in anti-cancer research. Cyclin dependent kinases were found to be promising drug targets. The goal is to find a molecule to inhibit CDK which are involved in cell cycle progression. Many drugs molecules fail during clinical trials as for streamlining study and ADME analysis is one of the crucial step. The ADME properties including blood brain barrier, GI absorption, aqueous solubility and skin permeabilitywere evaluated for these molecules. A various in-silico methods share the aim of ADME prediction from molecular structure. Swiss ADME is tool focus on specific property and it is most relevant computational methodsprovides pharmacokinetics properties of small molecules. ADME screening was carried out to know efficacy of molecules before proceeding to in-vivo or in-vitro assays.