图书简介
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.FeaturesDescribes modeling strategies applied to MMPsElaborates on the designing strategies of MMPs specificallyIncludes in-depth analyses of related case studiesActs as a guide for medicinal chemists, not only from pharmaceutical industries, but also from academiaCovers 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
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