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Virtual Screening of CDK9 Inhibitors as Potential Anti Cancer Drugs

International Journal of Computer Applications
Foundation of Computer Science (FCS), NY, USA
Year of Publication: 2017
Ravi Kumar K., Archana Giri, Rama Rao Nadendla

Ravi Kumar K., Archana Giri and Rama Rao Nadendla. Virtual Screening of CDK9 Inhibitors as Potential Anti Cancer Drugs. International Journal of Computer Applications 157(7):40-46, January 2017. BibTeX

	author = {Ravi Kumar K. and Archana Giri and Rama Rao Nadendla},
	title = {Virtual Screening of CDK9 Inhibitors as Potential Anti Cancer Drugs},
	journal = {International Journal of Computer Applications},
	issue_date = {January 2017},
	volume = {157},
	number = {7},
	month = {Jan},
	year = {2017},
	issn = {0975-8887},
	pages = {40-46},
	numpages = {7},
	url = {},
	doi = {10.5120/ijca2017912778},
	publisher = {Foundation of Computer Science (FCS), NY, USA},
	address = {New York, USA}


Cell cycle inhibition is important hallmark of anti cancer research. CDKs are divided into two types based on their Cell cycle controlling and transcriptional control. CDK 9, a transcriptional regulator serves as potential drug target. Only few drugs are under clinical trials phase 1/2/3 of CDK 9 inhibitory potential. 3BLR (pdb id) is used as docking target. Virtual screening is carried out based on the pharmacophore information generated from literature. Docking is carried out using Molegro virtual docker with all the compounds and top ranking compounds are shortlisted. The best compound (ZINC91643349) was identified and further analyzed by Invitro assays.


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CDK9, CDK9 inhibitors, Virtual Screening, Molecular Docking