"Virtual Screening" ed. by Mutasem O. Taha

This volume describes a group of virtual screening methods and techniques that are used currently in modern drug discovery. Virtual Screening is directed to those interested in the different aspects of drug design that include academicians (pharmacists, chemists), and scientists at pharmaceutical companies.

The first section describes mixing pharmacophore modeling with classical quantitative structure-activity relationship (QSAR) analysis as powerful combination to enrich bioactivity among virtual screening hits.
The next part of the book tries to evaluate recent advances and future trends on the emerging promising role of graphics processing units (GPUs) as platforms for virtual screening-based drug discovery, in particular in molecular dynamics simulations.
The latter parts of the book discuss several examples on the use of virtual screening methods
based on combinations of pharmacophore modeling and Comparative Molecular Field Analysis (CoMFA) or Comparative Molecular Similarity Indices Analysis (CoMSIA) for the discovery of anticancer, anti-leshmanial and acetylcholineesterase inhibitory agents.
In each chapter, every effort has been made to incorporate detailed procedures, including software and its use, related to these technologies.

Contents
Preface
Part 1 Pharmacophore Modelling and QSAR-A Powerful Combination for Virtual Screening
1 Mixing Pharmacophore Modeling and Classical QSAR Analysis as Powerful Tool for Lead Discovery
Part 2 GPUs in Virtual Screening - Current State and Future Perspectives
2 Recent Advances and Future Trend on the Emerging Role of GPUs as Platforms for Virtual Screening-Based Drug Discovery
Part 3 Application Examples on Modeling Methods Implemented in Virtual Screening
3 CoMFA/CoMSIAand Pharmacophore Modelling as a Powerful Tools for Efficient Virtual Screening: Application to Anti-Leishmanial Betulin Derivatives
4 Virtual Screening of Acetylcholinesterase Inhibitors
5 Computational Virtual Screening Towards Designing Novel Anticancer Drugs