About the book
Molecular modeling methods in new drug discovery or 'repurposing' approaches of known approved drugs have gained a very important place in understanding the behavior of complex biological and chemical systems. The integration of experimental methods with computational methods is invaluable both in the development of promising new bioactive compounds and in the molecular characterization of protein-ligand or protein-protein interactions. Molecular docking, in one of these molecular modeling methods, is a unique approach to revealing key interactions in important molecular recognition processes and to accurately predict receptor-ligand binding free energies. Today, the molecular docking method has not only enabled the discovery of new drugs and therapeutic agents but also opened different windows to the submicroscopic world of interacting partner molecules by providing a unique atomistic perspective in the explanation of important intermolecular phenomena.
The topics covered in this book are mainly:
1. Emphasizing the unique power of the molecular docking method in new drug discovery;
2. Demonstration of how the molecular docking technique has led to the discovery of new molecules in cancer therapy, proteasome, and STAT3 inhibition, and the treatment of Alzheimer's disease;
3. Underlining the importance of molecular docking-based modeling methods in the various branches of biotechnology
We hope that this book will be a common point where researchers working in the fields of life sciences and drug development will eventually meet.
