IDENTIFICATION OF ANTI-CANCER PEPTIDES INHIBITING CATK AS A POTENT PROMISING THERAPEUTIC APPLICATIONS TO COMBAT EPITHELIAL OVARIAN CANCER

Abstract

Introduction: Despite being rare, ovarian cancer is the deadliest type of gynaecological cancer and a major public health concern. The World Health Organization projects that 140,200 people will lose their lives to ovarian cancer each year, and that 225,500 new cases will be identified. Currently most common cancer in women is ovarian cancer, which is placed eighth position due to the mortality rate worldwide. Together, these figures demonstrate how significant ovarian cancer is as a global source of disease and mortality. The fifth most common cause of cancer-related deaths among women in Western nations is ovarian cancer. In this research. Cathepsin K is one cysteine protease that could be a therapeutic target for cancer treatment. Certain proteases can have their activity inhibited to decrease the progression of cancer. In terms of efficacy and adverse effects, peptide therapies are good. Methods: We chose an anticancer peptide and screened against CatK, the Epithelial ovarian Cancer (EOC) target protein, after examining a number of parameters, VLL-28 were selected. We investigated the dock complex of VLL-28 with CatK using molecular dynamic modeling in order to confirm the interaction between the two molecules. Result: We noticed that VLL-28 and CatK had a strong interaction, and a molecular dynamic modeling analysis supported this finding. With a binding score of -248.74 kcal/mol, docked model complex was selected due to its ability to bind to the target protein's active binding site. Using GROMCAS, MD simulation results were assessed for approximately 100 ns. Conclusion: Our research will offer valuable information about peptide treatments for EOC.  According to this study, the target protein CatK possibly inhibited by the peptide VLL28. As a CatK inhibitor, the VLL-28 peptide might be a promising treatment option for EOC.