Abstract

PROTEIN-PROTEIN DOCKING ON MOLECULAR MODEL OF FOCAL ADHESION KINASE (FAK) AND P53 AND INHIBITION USING MARINE FUNGAL COMPOUND ASCOCHITINE

Ingabire Denyse, Senthilraja P.*, Dhurga K., Manikandaprabhu S.

Abstract

Focal Adhesion Kinase (FAK) and p53 have been associated with metastatic cancer. The FERM domain of FAK directly binds with Nterminal of p53. The current study was undertaken to study the proteinprotein interaction between FAK-p53 using in silico methods. Ascochitine is a compound derived from the marine fungal species Ascochyta salicorniae and found to exhibit anti-tumor activity. In the current study, the protein complex of FAK-p53 was predicted using macromolecular docking and the resulting complex was used as the receptor for molecular docking analysis using Ascochitine as the ligand molecule. The result shows Ascochitine binds effectively to the FAK-p53 complex. In the conclusion, we suggest that the compound Ascochitine can be investigated further for its anti-tumorigenic activity via in vitro and in vivo studies.

Keywords: Focal Adhesion Kinase (FAK), p53, Ascochitine, Protein-Protein docking, Molecular docking.