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

• #1. Role of Molecular Docking in Computer-Aided Drug Design and Development
• #2. Application of Docking Methodologies in QSAR-Based Studies
• #3. Molecular Docking Challenges and Limitations
• #4. Application of Molecular Docking in Studies on the Binding Mechanism of Three Enzymes with Natural Products
• #5. Molecular Docking of Biologically Active Substances to Double Helical Nucleic Acids: Problems and Solutions
• #6. Molecular-Docking-Based Drug Design and Discovery: Rational Drug Design for the Subtype Selective GPCR Ligands
• #7. Molecular Modelling, Dynamics, and Docking of Membrane Proteins: Still a Challenge
• #8. In Silico Perspective into Interactions and Mutations in Human TLR4 and Ebola Glycoprotein
• #9. Molecular-Docking-Based Anti-Allergic Drug Design
• #10. Protein-Protein Interactions (PPIs) as an Alternative to Targeting the ATP Binding Site of Kinase: In Silico Approach to Identify PPI Inhibitors
• #11. Applications of Molecular Docking: Its Impact and Importance outside the Purview of Drug Discovery

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.