Modeling Inhibitors of Matrix Metalloproteinases QSAR in Environmental and Health Sciences Series

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: Fundamentals of molecular modeling

Chapter 1

2D-QSAR studies: Regression and classification-based QSAR studies

Chapter 2

3D-QSAR studies: CoMFA, CoMSIA and Topomer CoMFA methods

Chapter 3

Other modeling approaches: Pharmacophore mapping, molecular docking and molecular dynamic simulation studies

Part B: Matrix metalloporteinases and their inhibitors

Chapter 4

Collagenases and their inhibitors

Chapter 5

Gelatinases and their inhibitors

Chapter 6

Stromelysins and their inhibitors

Chapter 7

Matrilysins and their inhibitors

Chapter 8

Membrane-type MMPs and their inhibitors

Chapter 9

Other MMPs and their inhibitors

Part C: Modeling of MMP inhibitors

Chapter 10

Modeling inhibitors of Collagenases

Chapter 11

Modeling inhibitors of Gelatinases

Chapter 12

Modeling inhibitors of Stromelysins

Chapter 13

Modeling inhibitors of Matrilysins

Chapter 14

Modeling inhibitors of membrane-type MMPs

Chapter 15

Modeling inhibitors of other MMPs

Part D: Conclusion and Future Perspective

Chapter 16

Conclusion and Future Perspectives

Tarun Jha is the senior most Professor of the Department of Pharmaceutical Technology, Jadavpur University, Kolkata, India. He has already supervised 20 Ph.D. students and is guiding 4 more for that. He also guided 6 post-doctoral fellows and completed 9 research projects. He has published 200 research articles and 10 book chapters as well as jointly edited a book. Prof. Jha is one of the Editorial Board Members of the journal ‘SAR and QSAR in Environmental Research’ published by Taylor and Francis. He is also serving as a reviewer of 26 internationally reputed journals. His research area includes the design, synthesis, and biological evaluation of anticancer small molecules, especially inhibitors of zinc-dependent metalloenzymes.