This document provides a comprehensive review of Forensic Toxicology, emphasizing its role in legal investigations and healthcare. It highlights the multidimensional aspects of toxicology, including detection of drugs, poisons and alcohol in biological samples, interpretation of results, and the importance of analytical techniques. The paper reviews the principles of toxicokinetics and toxicodynamics, discusses challenges in sample collection and examines the legal and ethical considerations of toxicological analysis. Additionally, it addresses emerging technologies and the future scope of forensic toxicology in improving criminal investigations and public safety.

Combinatorial chemistry is an advanced and efficient technique that enables the rapid and economical synthesis of a large number of compounds within a short period. It plays a crucial role in modern drug discovery by reducing the time and cost of developing new and effective drugs. The field involves various techniques such as solid-phase synthesis, parallel synthesis, mixed (split-and-mix) synthesis and solution-phase synthesis, which are used to create diverse chemical libraries for screening potential drug candidates. This approach increases the chances of identifying new lead molecules and has become a vital part of medicinal chemistry. Overall, combinatorial chemistry significantly accelerates drug development and enhances competition in the pharmaceutical market.

Molecular docking has emerged as a vital computational technique in structure -based drug discovery, enabling the prediction of molecular interactions between ligands and biological targets. This review provides a comprehensive overview of the principles, methodologies, tools and applications of molecular docking. We begin by discussing the fundamental concepts of molecular recognition and the various docking approaches, including rigid, flexible and semi-flexible strategies. Essential aspects of receptor and ligand preparation are addressed, alongside consideration for binding site identification and molecular optimization. Key docking algorithms and scoring functions ranging from force -field-based to machine learning-enhanced methods are evaluated for the ir effectiveness and limitations. The review highlights widely used docking software such as AutoDock, GOLD and Glide, comparing their strengths in various research contexts. Applications in virtual screening, lead optimization, protein-protein interactions and enzyme-inhibitor studies are explored, illustrating the broad utility of docking in drug discovery. Challenges such as protein flexibility, scoring accuracy and solvent effects are critically examined, with emphasis on current advances I including AI integration and quantum mechanical approaches. Finally, the article discusses future directions aimed at enhancing predictive accuracy and expanding docking’s role in precision medicine. This review aims to serve as a valuable resource for rese archers and resource for researchers and students engaged in computational drug design and molecular modelling.