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This book covers various modern molecular modeling methodologies particularly related to matrix metalloproteinases inhibitors (MMPIs). The text comprises an in-depth description of ligand-based drug designing (LBDD) and structure-based drug designing (SBDD) modeling strategies for designing potential and target specific or selective MMPIs.
List of contents
Part A: Fundamentals of molecular modelingChapter 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
About the author
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.
Summary
This book covers various modern molecular modeling methodologies particularly related to matrix metalloproteinases inhibitors (MMPIs). The text comprises an in-depth description of ligand-based drug designing (LBDD) and structure-based drug designing (SBDD) modeling strategies for designing potential and target specific or selective MMPIs.
