Main description:

The first book in the newly created book series, Computer-Aided Drug Discovery and Design, focuses on the computational aspects of early drug discovery, drug target identification, and validation. It revises current classical paradigms in target and phenotypic-based drug design with still ingrained approximations and concepts and discusses the research in the new network approach concept that include kinetic selectivity and metabolic analysis.
Many often-overlooked approximations and concepts in drug discovery are fully covered. Drug Target Selection and Validation includes both introductory sections and research-based sections to be of use to both students and research scientists in drug discovery, design, kinetics and metabolic analysis. Pharmaceutical scientists, pharmaceutics, drug developers, pharmacologists, biomedical researchers in computer science, medicinal chemists, and precision medicine developers benefit from the information provided. The book concludes with a chapter on chemical and structural databases.

Contents:

Table of Contents

DRUG DISCOVERY AND DESIGN SERIES Volume 1: Drug Target selection and validation.

1. Drug discovery paradigms: target-based drug discovery Chonny Herrera-Acevedo, Camilo Perdomo-Madrigal, Jose Alixandre de Sousa Luis, Luciana Scotti, Marcus Tullius Scotti

2. Drug discovery paradigms: phenotypic-based drug discovery Alan Talevi, Carolina L. Bellera

3. Target Identification Approaches in Drug Discovery Azhar Rasul, Ammara Riaz, Iqra Sarfraz, Samreen Gul Khan, Ghulam Hussain, Rabia Zara, Ayesha Sadiqa, Gul Bushra, Saba Riaz, Muhammad Javid Iqbal, Mudassir Hassan, Khatereh Khorsandi

4. Introduction to target validation Cecilia Ortiz, Santiago Ruatta, Marcelo Comini

5. Structure-based binding pocket detection and druggability assessment Santiago Rodriguez, Juan I. Alice, Carolina L. Bellera, Alan Talevi

6. Network-Based Target Identification Zengrui Wu, Yun Tang

7. The Current State of Precision Medicine and Targeted-Cancer Therapies - Where are We? Attila Seyhan

8. Metabolic Control Analysis for drug target selection against human diseases Javier Belmont-Diaz, Citlali Vazquez, Rusely Encalada, Rafael Moreno-Sanchez, Paul A. M. Michels, Emma Saavedra

9. Progress on open chemoinformatic tools for drug discovery Jose L. Medina-Franco, Rodrigo Gutierrez-Nieto, Homero Gomez-Velasco