Identification of Novel Drug Compound for the Mutated Protein (PKBB-Protein Kinase B, Beta) Responsible for Endometrial Cancer Using Advanced Insilico Drug Designing Technique

Abstract

Currently, one of the most important health problems affecting individuals worldwide is endometrial cancer. Numerous studies have been conducted by oncologists in an effort to create preventive medications that will lower the cancer's death rate. Using 3D Insilico drug docking techniques, we investigate the potential interactions between the mutant target protein, PKBB-Protein Kinase B, Beta, and the anti-cancer pharmaceutical (control drug), Mercaptopurine, and the proposed de novo drug derivative. To perform drug docking procedures, the translated amino acid sequence and three-dimensional chemical compound were acquired from the NCBI database. The most sophisticated 3D molecular imaging instruments were used to conduct post-docking studies. The de novo medicine directly blocks amino acid mutational sites, as the results of the docking investigation clearly showed (PKBB). The suggested de novo drug has a higher binding score than the control medication, mercaptopurine. Using molecular dynamics techniques, a three-dimensional image of the H-bond contact force between PKBB and the de novo drug is produced. Therefore, we deduce that the suggested anti-cancer de novo drug may aid in the treatment of endometrial cancer. Thus, we suggest the de novo medicine, which lessens discomfort while reducing the signs and symptoms of malignancy.