Kalra, SouravJoshi, GauravMunshi, AnjanaKumar, Raj2017-01-152024-08-142017-01-152024-08-142017Kalra, S., Joshi, G., Munshi, A., & Kumar, R. (2017). Structural insights of cyclin dependent kinases: Implications in design of selective inhibitors. European Journal of Medicinal Chemistry, 142, 424-458. doi: 10.1016/j.ejmech.2017.08.071223523410.1016/j.ejmech.2017.08.071http://10.2.3.109/handle/32116/388There are around 20 Cyclin-dependent kinases (CDKs) known till date, and various research groups have reported their role in different types of cancer. The X-ray structures of some CDKs especially CDK2 was exploited in the past few years, and several inhibitors have been found, e.g., flavopiridol, indirubicin, roscovitine, etc., but due to the specificity issues of these inhibitors (binding to all CDKs), these were called as pan inhibitors. The revolutionary outcome of palbociclib in 2015 as CDK4/6 inhibitor added a new charm to the specific inhibitor design for CDKs. Computer-aided drug design (CADD) tools added a benefit to the design and development of new CDK inhibitors by studying the binding pattern of the inhibitors to the ATP binding domain of CDKs. Herein, we have attempted a comparative analysis of structural differences between several CDKs ATP binding sites and their inhibitor specificity by depicting the important ligand-receptor interactions for a particular CDK to be targeted. This perspective provides futuristic implications in the design of inhibitors considering the spatial features and structural insights of the specific CDK. ? 2017 Elsevier Masson SASen-USCyclin dependent kinaseCyclin dependent kinase 1Cyclin dependent kinase 12Cyclin dependent kinase 13Cyclin dependent kinase 16Cyclin dependent kinase 2Cyclin dependent kinase 4Cyclin dependent kinase 5Cyclin dependent kinase 6Cyclin dependent kinase 7Cyclin dependent kinase 8Cyclin dependent kinase 9Cyclindependent kinase inhibitorLigandUnclassified drugCyclin dependent kinaseProtein kinase inhibitorComparative studyDrug bindingDrug designDrug structureReviewhttps://www.sciencedirect.com/science/article/pii/S0223523417306827?via%3Dihub