Molecular Interaction Study between Gentamicin and the Cancer Protein Target (TP53) using in silico Tools

Abstract

The most prevalent mutation in hepatocellular carcinoma (HCC), TP53 mutations impacts the course and prognosis of HCC. 3D in silico drug docking techniques were employed to make the possible mutant target tumor protein 53 (TP53) interact with benzene acetic acid (Gentamicin) and non-steroidal anti-inflammatory drugs (NSAIDs). To carry out drug docking techniques, the translated amino acid sequence and three-dimensional chemical compound were obtained from the NCBI database. The use of sophisticated 3D molecular visualization tools was employed in post-docking experiments. The docking study results unequivocally show that gentamicin directly suppresses amino acid mutational sites. TP53 and Gentamicin's electrostatic force is depicted in a three-dimensional manner using notions from molecular dynamics techniques. In the end, it was determined that gentamicin, an Antibiotic medication, helps treat liver cancer. Most chemotherapy medications cause pain. Therefore, Gentamicin shall be used to lessen discomfort while minimizing the symptoms of cancer.