Evaluation of Phytocompounds of Vitis vinifera, Tabernaemontana corymbosa and Aloe vera against JAB1: A Strategy to Treat Cervical Cancer

Abstract

JAB1 or C-Jun activation domain-binding protein-1 plays a role in controlling cellular proliferation, cell apoptosis, cell cycle, and regulating genomic instability as well as DNA damage response. JAB1 dysregulation contributes to oncogenesis via deactivating tumor suppressor genes. Vitis vinifera, Tabernaemontana corymbosa, and Aloe vera have been known for their antitumor functions. However, the inhibitory role of phytocompounds derived from Vitis vinifera, Tabernaemontana corymbosa, and Aloe barbadensis miller (Aloe vera) against JAB1 has not yet been elucidated. Therefore, we studied the naturally derived compounds from Vitis vinifera, Tabernaemontana corymbosa, and Aloe vera, which can interact and decrease the activities of JAB1 using in-silico analysis. Eighty-one compounds were screened using PyRx and further analyzed via Lipinski's rule. Further, on executing molecular docking studies on the sixty selected compounds, Iboluteine was found to be a potent inhibitor of JAB1 and should further be explored in in-vitro studies to substantiate these assertions. Phytocompounds are a reservoir of bioactive molecules that can be particularly useful in treating cervical cancer due to their limited toxicity and amenability from the development of drug resistance. Thus, this study aims to identify possible naturally derived compounds from Vitis vinifera, Tabernaemontana corymbosa, and Aloe vera, which can selectively decrease the activities of JAB1 that has the potential to be a crucial anti-cancer therapeutic molecule against cervical cancer.