Saheen Shehnaz

Oct 19, 2023 | link.springer.com | NAND Kishor |Ramesh Chandra |Saheen Shehnaz

AbstractClinical inhibitors of cell-cycle regulatory enzyme cyclin-dependent kinase 6 (CDK6) are not free of harmful consequences to human bodies. Flavonoids fisetin and chrysin bestow anti-cancer benefits by inhibiting the activities of CDK6 with strong binding affinities. To understand the structure requirement of such inhibitory behaviour, docking and molecular dynamics (MD) simulations were performed on chosen three derivatives each of fisetin and chrysin along with the parent flavonoids.