The cell cycle is governed by a family of proteins i.e. cyclin dependent kinases (CDKs) and their inhibitors (CDKIs) through activating and inactivating events. Cdks are heteromeric serine/threonine kinases that control progression through the cell cycle in concert with their regulatory subunits, the cyclins. CDK activity was found to increase in different types of human tumors as well as progression and/or invasiveness of some cancers such as breast, leukemia, and melanoma. Computer aided drug design was implemented to find novel compounds as possible CDK inhibitors. Screening of 1400 drugs from DrugBank database was carried out using Molegro software against various CDKs derived from Protein Data Bank. From the result, the best three drugs which exhibited high binding affinity against all targets are reported. The analysis against eight proteins resulted in 14 drugs and the top three drugs obtained are Olmesartan, Verteporfin and Atorvastatin.
CITATION STYLE
Kotha, S., Adimulam, Y. B., & Kiran Kumar, R. (2016). Computational screening of drugbank database for novel cell cycle inhibitors. In SpringerBriefs in Applied Sciences and Technology (pp. 61–70). Springer Verlag. https://doi.org/10.1007/978-981-10-0391-2_6
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