International Journal of Computer Applications
Foundation of Computer Science (FCS), NY, USA
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Volume 157 - Issue 7 |
Published: Jan 2017 |
Authors: Ravi Kumar K., Archana Giri, Rama Rao Nadendla |
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Ravi Kumar K., Archana Giri, Rama Rao Nadendla . Virtual Screening of CDK9 Inhibitors as Potential Anti Cancer Drugs. International Journal of Computer Applications. 157, 7 (Jan 2017), 40-46. DOI=10.5120/ijca2017912778
@article{ 10.5120/ijca2017912778, author = { Ravi Kumar K.,Archana Giri,Rama Rao Nadendla }, title = { Virtual Screening of CDK9 Inhibitors as Potential Anti Cancer Drugs }, journal = { International Journal of Computer Applications }, year = { 2017 }, volume = { 157 }, number = { 7 }, pages = { 40-46 }, doi = { 10.5120/ijca2017912778 }, publisher = { Foundation of Computer Science (FCS), NY, USA } }
%0 Journal Article %D 2017 %A Ravi Kumar K. %A Archana Giri %A Rama Rao Nadendla %T Virtual Screening of CDK9 Inhibitors as Potential Anti Cancer Drugs%T %J International Journal of Computer Applications %V 157 %N 7 %P 40-46 %R 10.5120/ijca2017912778 %I Foundation of Computer Science (FCS), NY, 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.