Applied Case Studies and Solutions in Molecular Docking-Based Drug Design

Applied Case Studies and Solutions in Molecular Docking-Based Drug Design

Siavoush Dastmalchi (Tabriz University of Medical Sciences, Iran), Maryam Hamzeh-Mivehroud (Tabriz University of Medical Sciences, Iran) and Babak Sokouti (Tabriz University of Medical Sciences, Iran)
Release Date: May, 2016|Copyright: © 2016 |Pages: 367
ISBN13: 9781522503620|ISBN10: 1522503625|EISBN13: 9781522503637|DOI: 10.4018/978-1-5225-0362-0

Description

As the pharmaceutical industry continues to advance, new techniques in drug design are emerging. In order to deliver optimum care to patients, the development of innovative pharmacological techniques has become a widely studied topic.

Applied Case Studies and Solutions in Molecular Docking-Based Drug Design is a pivotal reference source for the latest scholarly research on the progress of pharmaceutical design and computational approaches in the field of molecular docking. Highlighting innovative research perspectives and real-world applications, this book is ideally designed for professionals, researchers, practitioners, and medical chemists actively involved in computational chemistry and pharmaceutical sciences.

Topics Covered

The many academic areas covered in this publication include, but are not limited to:

  • Antiallergic Drugs
  • Biologically Active Substances
  • Ebola Virus
  • Membrane Proteins
  • Protein-Protein Interactions
  • QSAR-Based Studies

Reviews and Testimonials

Contributed by biochemists, biophysicists, and other scientists from Mexico, Asia, Iran, Ukraine, and the US, the 11 chapters in this volume discuss methodologies of molecular docking in drug design. They address the role of molecular docking in computer-aided drug design and development; the application of docking methodologies in quantitative structure activity relationship-based studies; the challenges and limitations of molecular docking; its application in studies on the binding mechanism of enzymes with natural products; docking of biologically active substances to double helical nucleic acids, and more.

– ProtoView Reviews

This well-referenced book presents various aspects of molecular docking techniques in drug design. A helpful synopsis of each chapter appears at the beginning of the book. Students and scientists who are interested in learning the applications of molecular docking in drug design will find this a useful reference.

– Rahmat M. Talukder, PhD, RPh, West Coast University School of Pharmacy, USA , Doody’s Book Reviews

Table of Contents and List of Contributors

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Author(s)/Editor(s) Biography

Siavoush Dastmalchi graduated as Doctor of Pharmacy from Tabriz University of Medical Sciences (TUMS). Then he moved to Sydney where he received his PhD from the Faculty of Pharmacy at the University of Sydney in 2002. Since then he has worked as a full academic in the Medicinal Chemistry Department at the School of Pharmacy, TUMS, teaching medicinal chemistry, instrumental drug analysis and bioinformatics to graduate and postgraduate students. He is currently the Director of the Biotechnology Research Centre at TUMS where he leads his research team mainly with interests in molecular modelling, structural biology, and chemo-bioinformatics for their application to drug discovery.

Maryam Hamzeh-Mivehroud is an assistant professor who graduated as Doctor of Pharmacy from Tabriz University of Medical Sciences in 2004 and received her PhD in Medicinal Chemistry from this university in 2011. Since then she has worked as a full academic member in the Medicinal Chemistry Department at the School of Pharmacy, and teaches medicinal chemistry at the undergraduate and postgraduate levels. Her main research interests are focused on QSAR and molecular modelling based on various description selection algorithms and machine learning methods. She is also professional in working with modelling and statistical softwares such as GROMACS, GOLD, AMBER, GOLPE, MOE, etc.

Babak Sokouti has over 17 years IT technical management and consulting experience, including managing and maintaining sophisticated network infrastructures. He has obtained Bachelor of Science in Electrical Engineering with a specialization in Control from Isfahan University of Technology, Isfahan, Iran; a Master of Science in Electrical Engineering with a specialization in Electronics (with background of biomedical engineering) from Tabriz Branch, Islamic Azad University, Tabriz, Iran; a Master of Science in Information Security with Distinction from Royal Holloway University of London, London, UK; and obtained PhD in Bioinformatics from Biotechnology Research Center, Tabriz University of Medical Sciences, Tabriz, Iran. In addition, he has obtained IT industry certifications including MCP, MCSA 2003, MCDBA 2000, MCSE 2003, and MCTS 2008. His research interests include cryptographic algorithms, information security, network security and protocols, image processing, protein structure prediction, and hybrid intelligent neural network systems based on genetic algorithms.