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.
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.
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.
Inhaltsangabe
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
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
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