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
By Sanjib Das, Sk. Abdul Amin, Shovanlal Gayen, and Tarun Jha
Chapter 2
3D-QSAR studies: CoMFA, CoMSIA and Topomer CoMFA methods
By Suvankar Banerjee, Sandip Kumar Baidya, Nilanjan Adhikari , Tarun Jha
Chapter 3
Other modeling approaches: Pharmacophore mapping, molecular docking and molecular dynamic simulation studies
By Sk. Abdul Amin, Shovanlal Gayen, Sanjib Das, and Tarun Jha
Part B: Matrix metalloporteinases and their inhibitors
Chapter 4
Collagenases and their inhibitors
By Sandip Kumar Baidya, Suvankar Banerjee, Nilanjan Adhikari, and Tarun Jha
Chapter 5
Gelatinases and their inhibitors
By Sk. Abdul Amin, Sanjib Das, Shovanlal Gayen, and Tarun Jha
Chapter 6
Stromelysins and their inhibitors
By Sandip Kumar Baidya, Suvankar Banerjee, Nilanjan Adhikari , and Tarun Jha
Chapter 7
Matrilysins and their inhibitors
By Sandip Kumar Baidya, Suvankar Banerjee, Nilanjan Adhikari , and Tarun Jha
Chapter 8
Membrane-type MMPs and their inhibitors
By Suvankar Banerjee, Sandip Kumar Baidya, Nilanjan Adhikari, and Tarun Jha
Chapter 9
Other MMPs and their inhibitors
By Suvankar Banerjee, Sandip Kumar Baidya, Nilanjan Adhikari, and Tarun Jha
Part C: Modeling of MMP inhibitors
Chapter 10
Modeling inhibitors of Collagenases
By Sandip Kumar Baidya, Suvankar Banerjee, Nilanjan Adhikari, Balaram Ghosh, and Tarun Jha
Chapter 11
Modeling inhibitors of Gelatinases
By Samima Khatun, Sk. Abdul Amin, Suvankar Banerjee, Shovanlal Gayen, and Tarun Jha
Chapter 12
Modeling inhibitors of Stromelysins
By Sandip Kumar Baidya, Suvankar Banerjee, Nilanjan Adhikari, and Tarun Jha
Chapter 13
Modeling inhibitors of Matrilysins
By Suvankar Banerjee, Sandip Kumar Baidya, Nilanjan Adhikari, and Tarun Jha
Chapter 14
Modeling inhibitors of membrane-type MMPs
By Suvankar Banerjee, Sandip Kumar Baidya, Nilanjan Adhikari, and Tarun Jha
Chapter 15
Modeling inhibitors of other MMPs
By Suvankar Banerjee, Sandip Kumar Baidya, Nilanjan Adhikari, and Tarun Jha
Part D: Conclusion and Future Perspective
Chapter 16
Conclusion and Future Perspectives
By Nilanjan Adhikari , Sandip Kumar Baidya, Suvankar Banerjee, and Tarun Jha
Biography
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.
