Recognition of New Inhibitor of CDK9/Cyclin T1 Complex as Persuasive Anticancer Agent
Journal Title: International Journal of Advanced Biotechnology and Research. - Year 2016, Vol 7, Issue 2
Abstract
ABSTRACT: Cyclin Dependent Kinase regulate the Cell cycle process, which goes from G1, S, G2, M phase. CDK9/Cyclin T1 complex plays a very vital role in the progression of the Cell cycle in the form of the transcription elongation. Inhibition of that target reduces several diseases like Alzheimer's, AIDS, Cardiac Hypertrophy, Cancer and several Inflammations. Structure Based Drug Design is a key approach for finding out the best drug candidate, which reduces the target functionality, to carry out our research we have used virtual screening and docking procedure using the Glide tool of the Schrodinger software and ADMET, MMGBSA and DFT analysis also be done for the same. Results uncovered 12 inhibitors, designated by Maybridge HitFinder ids as MH-12988, MH-11507, MH- 12294, MH-9564, MH-3736, MH-10478, MH-6996, MH-7270, MH-12662, MH-14066, MH-13114, and MH- 13757 which shows docking scores higher than Flavopiridol (an anti cancer drug). Compound A or (MH-12988), 1- {2-[4 diethyamino) phenyl] hydrazono} -1,2 dihydronaphthalen-2-one was found to be more potent and selective as an inhibitor. Hopefully in the near future the compound (MH-12988) could be used as anticancer agents.
Authors and Affiliations
Afzal Hussain* and Chandan Kumar Verma
Keywords
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