An insilico study to inspect the induction of ferroptosis by Gossypol on the human ovarian teratocarcinoma cell line PA-1

Abstract

Cancer remains the second leading cause of death worldwide, with ovarian cancer accounting for approximately 300,000 new cases and 200,000 deaths in 2020. Ovarian Teratocarcinoma is a rare, malignant form of this disease, characterized by the presence of various tissue types within a tumor. Gossypol, a natural polyphenolic compound found in cotton seeds, has been shown to exhibit anti-proliferative and anti-metastatic properties against different types of human cancers. In this study, in silico analysis is performed using molecular docking tools, PyRx® and AutoDock Vina®, to identify target proteins involved in ferroptosis regulation that were abnormally expressed. Visualization of the obtained results is performed using PyMOL. The results indicate that Gossypol demonstrated high binding efficacy with these proteins, as evidenced by the strong negative binding affinity. In conclusion, Gossypol has the potential to alter the function of these target proteins and inhibit their proliferative activity. Further validation through in vitro studies on cell lines is necessary. This research contributes to the understanding of ovarian cancer and may lead to the development of novel treatments for this devastating disease.