Identification of Inhibitors with Potential Anti-Prostate Cancer Activity: A Chemoinformatics Approach.

ABSTRACT: Background: Prostate cancer is the most common cancer in men, especially after the age of 50. It is a malignant disease that is increasing due to the increased life expectancy of the world population. Its development and progression are dependent on androgenic stimulation. Objectives: This study aimed to identify potential inhibitors with anti-prostate cancer activity through the application of chemoinformatics tools, exploring the Princeton (~1.2 million compounds) and Zinc Drug (~175 million compounds) databases. Methods: The methodology used several computational techniques, such as ROCS (Rapid Chemical Structure Superposition) and EON (Electrostatic Potential Screening), predictions of pharmacokinetic and toxicological properties, molecular docking, synthetic acces

SUBMITTER: Costa NS 

PROVIDER: S-EPMC12196096 | biostudies-literature | 2025 Jun

REPOSITORIES: biostudies-literature