Molecular docking has materialized as a high-powered computational tool in the field of drug discovery and has revolutionized the process of designing novel therapeutics. This review provides a comprehensive overview of molecular docking, its principles, methodologies, and applications in drug discovery. We discuss the key steps involved in the molecular docking process, including ligand preparation, protein preparation, scoring functions, and pose analysis. Furthermore, we highlight the significance of molecular docking in virtual screening, lead optimization, and structure-based drug design. The versatility of molecular docking is showcased through various case studies, where it has successfully facilitated the identification of potential drug candidates for a range of diseases. Additionally, we explore the challenges and limitations associated with molecular docking and discuss current advancements and future directions in the field. Overall, this review emphasizes the pivotal role of molecular docking in Increasing the speed of drug discovery and its potential to contribute to the burgeoning of personalized medicine.