… From here, we have predicted 297 potent inhibitors. These … CDK5 changes when the
interaction between CDK5 and p25 … and interacting residues obtained after molecular docking are …

… The crystal structure of the CDK5-Roscovitine complex … HCT-116, with the most potent inhibition
observed in MCF-7 (IC … criteria, focused screening, and biological evaluation. Of note, 10 …

… Cdk5 in complex with p25 (Cdk5/p25) and Roscovitine was … the tested inhibitors occupied
the ATP-binding site of Cdk5/p25 (… all the hit molecules obtained almost similar conformational …

… was subjected to molecular simulation of docked complexes. … in comparison to roscovitine
(selective Cdk5 inhibitor). The … Gene expression analysis of leptin revealed its strong inhibition …

… Pan CDK inhibitors remain the chief therapeutic option for the treatment of CDK5-related
illnesses [22]. First-generation pan CDK inhibitors, Roscovitine and flavopiridol, have entered …

… kinase inhibition test, it was found that 3c inhibited the CDK5/… is probably related to strong
inhibition of protein kinases, which … MZH and MMR performed the molecular modeling study; …

… , Flavopiridol (Alvocidib) 4 (Figure 3), a flavonoid derived from … a very effective small molecule
inhibitor against CDK5 (IC 50 = … that highly selective and potent inhibitors of human cyclin-…

… After removing duplicate hits from the hit list obtained from ZINCPharmer, three filters
were … Compound 6 is a very potent inhibitor of GSK-3β with IC 50 of 3.4 nM. Its 2-aminopyridyl …

… selective CDK5 inhibitors molecules by utilizing molecular docking, conventional, steered,
and biased MD simulations. We explored the potential of in-house developed, plant-derived (…

… I study of compound 13, a potent inhibitor targeting CDK 2, 7, … for CDK9 over other CDKs
(except CDK5, 43-fold). Importantly, … design, synthesis, and biological evaluation of potent and …