In-silico designing of a potent ligand molecule against PTEN (Phosphatase and tensin homolog) implicated in Breast Cancer

Breast cancer has been attributed to be the second most common malignancy in females worldwide after skin associated with a significantly high mortality rate. Tumor suppressor genes have an indispensable role maintaining genomic integrity as well cell cycle regulation. Phosphatase and tensin homolog deleted on chromosome ten (PTEN) is one of frequently mutated human tumor genes, implicated growth, survival, suppressing formation. As progresses more advanced stages, genetic alterations tend increase such alteration mutation PTEN gene which linked programmed death maintenance There syndrome known Cowden risk breast result outcome germline mutations gene. Loss activity, either at protein or level, related many primary metastatic malignancies including cancer. This study focuses developing potential bioavailable ligand inhibitory molecule for PTEN, using computer-aided drug design approach (CADD). A library developed ligands consisting 50 molecules was screened find candidate used generation development. Among them, LIG28 adjudged effective inhibitor given its maximum binding affinity ΔG -5.96Kcal/mole lower RMSD value. Carmer’s Rule toxicity further revealed compatibility non-toxicity molecule. These observations underscore importance target development tumorigenesis prognosis