Insilico Adme Profiling Of Cdk9 Inhibitors

Ravi Kumar K. 1 *, Archana Giri 1, Rama Rao Nadendla 2
2018 Zenodo  
Several drug targets have been identified in fighting against cancer. Inhibition of Cell cycle is one of the strategies used in anti-cancer research. CDKs [Cyclin Dependent Kinases] were found to be one of the promising drug targets. This work aims to find a potential molecule to inhibit CDKs that are involved in cell cycle progression. CDK 9 was chosen as potential drug target for cancer. Virtual screening was carried out against CDK 9 protein using Molecular Docking tools with molecules from
more » ... INC database. Molecules were shortlisted based on their docking score, rerank score and energies. Insilico Toxicity and ADME [Absorption, Distribution, Metabolism and Excretion] analysis was carried to know the efficacy of the molecules before proceeding to invitro and invivo assays. Molecules under study were analyzed for ADME properties using Molinspiration, preAdmet and Swissadme servers. ADME profiles were evaluated and most of the molecules were found to be suitable for further studies. Insilico ADMET analysis is proved to be a good tool in drug discovery. KEYWORDS: CDK, Cancer, Toxicity, ADME, Virtual Screening.
doi:10.5281/zenodo.1207094 fatcat:ijv7s5mjhfdrlhbvjdfnenbscq