Journal of Pharmaceutical Chemistry and Drug formulation ISSN: 3108-0782 (Online)

Authors: Kailash Gangthade1, Bhagwat Nagargoje2

Abstract: The field of pharmaceutical chemistry has witnessed significant advancements with the integration of computational approaches, providing valuable tools for drug discovery and development. This paper explores two prominent computational techniques, Virtual Screening and Molecular Docking, which play pivotal roles in identifying potential drug candidates. The paper discusses the principles, methodologies, and applications of these approaches, highlighting their contributions to accelerating the drug discovery process. Additionally, tables are provided to illustrate key concepts and examples in the field.

Keywords: Computational Chemistry, Virtual Screening, Molecular Docking, Drug Discovery, Pharmacophore Modeling, Ligand-Based Screening, Structure-Based Screening, Molecular Dynamics, Cancer Drug Discovery.