Multi Target Drug Design Using Chem Bioinformatic Approaches 1st edition by Kunal Roy ISBN 1493987321 978-1493987320

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Product details:

ISBN 10: 1493987321 
ISBN 13: 978-1493987320
Author: Kunal Roy 

This detailed book showcases recent advances in computational design of multi-target drug candidates involving various ligand and structure-based strategies. Different chem-bioinformatic modeling strategies that can be applied for design of multi-target drugs as well as important databases and web servers in connection with multi-target drug design are also featured in this collection. Written for the Methods in Pharmacology and Toxicology series, chapters include the kind of key implementation advice that will aid researchers greatly in their laboratory pursuits.
Authoritative and practical, Multi-Target Drug Design Using Chem-Bioinformatic Approaches seeks to aid all scientists working in the field of drug discovery research.

Multi-Target Drug Design Using Chem-Bioinformatic Approaches 1st Table of contents:

• Introduction to Multi-Target Drug Design: The book starts by explaining the concept of multi-target drug design, which is essential in tackling diseases that involve multiple molecular pathways. These include chronic diseases like cancer, cardiovascular diseases, and neurological disorders.

• Chemoinformatics and Bioinformatics: The book discusses the principles of chemoinformatics (the use of computational tools to handle chemical data) and bioinformatics (computational analysis of biological data) and how they are integrated into drug design. Key methods such as molecular docking, virtual screening, and quantitative structure-activity relationship (QSAR) modeling are highlighted.

• Target Identification and Validation: The identification of multiple therapeutic targets is essential for developing drugs that can act on various aspects of a disease. This section emphasizes techniques for target discovery and validation.

• Designing Multi-Target Drugs: The core focus of the book is on how to design drugs that can interact with multiple biological targets. It discusses computational tools, algorithms, and strategies that help in identifying and optimizing multi-target drug candidates.

• Molecular Docking and Virtual Screening: These are important computational techniques used to predict how a drug will bind to its target. The book details how these methods are applied in the context of multi-target drug design.

• Pharmacophore Modeling: The book delves into pharmacophore modeling, which involves creating 3D models of drug-target interactions to facilitate the design of molecules that interact with multiple biological targets.

• Case Studies and Examples: The book likely includes case studies and real-world examples demonstrating how chemoinformatics and bioinformatics tools have been used in the development of multi-target drugs, especially for complex diseases.

• Challenges in Multi-Target Drug Design: Designing drugs that interact with multiple targets is complex, and the book explores the challenges, such as off-target effects, drug toxicity, and the difficulty of optimizing multiple binding sites simultaneously.

• Future Directions: The book concludes by discussing the future of multi-target drug design, including the incorporation of artificial intelligence and machine learning techniques, as well as the potential for personalized medicine.

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