In Silico molecular docking studies on inhibitory activity of selected phytomolecules against Cyclin dependent kinase 8 receptor 5CEI

Worldwide cancer death among women is caused secondly by Breast cancer. The emergence of resistance to multi therapeutics among breast cancer patients is a serious issue to be addressed immediately and global initiatives are in the focus by WHO to reduce the mortality rate. In this stance, targeted drug therapy is scaling the heights to combat the therapeutic resistance. Recent studies conclusively underscored Cyclin-dependent kinase 8 (CDK8) as a critical drug target for breast cancer and associated metastasis. Here in, different categories of phytomolecules namely, Amentoflavone, Oxymatrine, Punicic acid, Punicic acid and trans-Resvertrol were screened against the protein 5CEI by structure based molecular docking and ADME prediction. A bench mark had made with comparative evaluation of identical studies on the anti Breast cancer drug Anastrazole and the phytomolecule Curcumin which was well known for its anti cancer activity. The results showed highest docking score of -7.9 for Amentoflavone with the target protein. Except for Punicic acid the binding energy values obtained were lower than Curcumin. Upon evaluation of the molecular properties, it is inferred that even when Amentaflavone violates the Lipinski’s rule it is showing considerable stability of docking with the active site of therapeutic target selected for the present study leading to the inhibition of the activity. The advantage of Amentoflavone, is that it is a nontoxic dietary supplement. The results of the study points to the futuristic aspect of further r investigations of the pharmacological properties in order to ascertain leads in the management of Breast Cancer.