Investigation of Momordica charantia phytochemicals against PIM1 Kinase: A Computational Approach

Abstract

Prostate cancer is a significant contributor to male cancer-related mortality. PIM1 kinase has implications in the development and progression of various cancers, particularly prostate cancer. PIM1, a serine/threonine protein kinase plays a crucial role in cellular processes including survival, growth and differentiation. In prostate cancer increased PIM1 expression is associated with a more aggressive phenotype and poorer patient outcomes. It has emerged as a promising therapeutic target for prostate cancer treatment. The development of PIM1 kinase inhibitors has greatly enhanced and progressed significantly. Different stages of clinical trials demonstrating their potential as therapeutic agents. Momordica charantia, or bitter melon has a long history in traditional medicine for various health conditions, it is very rich in secondary metabolites like triterpenoids, glycosides, alkaloids, flavonoids and phenolic acids. Bitter melon is considered to have medicinal properties including potential anticancer phytochemicals. This study employs virtual screening, molecular dynamic simulation and ADME/T analysis to explore bitter melon’s phytochemicals and their interaction with PIM1 kinase. The goal is to understand the molecular details and pharmacokinetics of bitter melon compounds evaluating their potential as therapeutic agents against prostate cancer. In our present study, it was found that out of all investigated phytochemicals catechin and gallic acid shows satisfactory result depending upon various parameters taken into consideration for conducting the study.