Spectroscopic, Thermodynamic and Molecular Docking Studies on Molecular Mechanisms of Drug Binding to Proteins II

Dear Colleagues,

Biological macromolecules interact with each other or ligands and form complexes with them. Quantification of the binding of chemical entities to a protein is an important early screening step during drug discovery and is of fundamental interest for estimating safety margins during drug development. The investigation of binding parameters has received significant attention since its importance was recognized at the beginning of the 20th century. Spectroscopy has emerged as an invaluable tool for such studies and has proven to be more efficient with improved time and cost-effectiveness. A detailed understanding of the protein–ligand interactions is, therefore, central to understanding biology at the molecular level. Moreover, knowledge of the mechanisms responsible for the protein-ligand recognition and binding will also facilitate the discovery, design, and development of drugs. Current progress in experimental and computational methods for identifying and characterizing ligand binding sites on protein targets provides biological insights and has great significance for drug discoveries.

 It is a great pleasure to invite you to contribute to this Special Issue of Molecules, Spectroscopic, Thermodynamic, and Molecular Docking Study on ‎Molecular Mechanism of Drugs that will cover the latest research applications in the field.  we aim to collect contributions in the form of original research articles, and  Review articles to add new insight into the role of Spectroscopic, Thermodynamic and Molecular Docking Study in drug–protein interactions in biological processes.

Prof. Dr. Tanveer A. Wani
Prof. Dr. Seema Zargar
Dr. Afzal Hussain
Guest Editors

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