ABSTRACT

Matrix metalloproteinases (MMPs) have been established as promising biomolecular targets for novel drug design and discovery against numerous major disease conditions including various cancers, cardiovascular, neurodegenerative, inflammatory diseases, and more. This book covers various modern molecular modeling methodologies particularly related to MMP inhibitors. Included in the text are descriptions of ligand-based drug designing and structure-based drug designing modeling strategies for designing potential and target specific or selective MMPIs. This book will benefit those who are looking for an in-depth text on the design and discovery processes of novel and selective MMPIs.

Features

  • Describes modeling strategies applied to MMPs
  • Elaborates on the designing strategies of MMPs specifically
  • Includes in-depth analyses of related case studies
  • Acts as a guide for medicinal chemists, not only from pharmaceutical industries, but also from academia
  • Covers various modern molecular modeling methodologies, particularly related to MMPIs

part A|86 pages

Fundamentals of Molecular Modeling

chapter 1|29 pages

2D-QSAR Studies

Regression and Classification-Based QSAR Studies

chapter 2|22 pages

3D-QSAR Studies

CoMFA, CoMSIA, and Topomer CoMFA Methods

chapter 3|33 pages

Other Modeling Approaches

Pharmacophore Mapping, Molecular Docking, and Molecular Dynamic Simulation Studies

part B|244 pages

Matrix Metalloproteinases and Their Inhibitors

part C|132 pages

Modeling of MMP Inhibitors

part D|8 pages

Conclusion and Future Perspective