Description
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. Dr. Kunal Roy is a Professor in the Department of Pharmaceutical Technology, Jadavpur University, Kolkata, India. He has been a recipient of Commonwealth Academic Staff Fellowship (University of Manchester, 2007) and Marie Curie International Incoming Fellowship (University of Manchester, 2013). The field of his research interest is QSAR and Molecular Modeling with application in Drug Design and Ecotoxicological Modeling. Dr. Roy has published more than 280 research articles in refereed journals (current SCOPUS h index 37). He has also coauthored two QSAR-related books, edited three QSAR books and published ten book chapters. Dr. Roy serves in different capacities in the Editorial Boards of several International Journals. Part I: Chem-Bioinformatic Tools 1. Cheminformatics Approaches to Study Drug Polypharmacology J. Jess Naveja, Fernanda I. Saldvar-Gonzlez, Norberto Snchez-Cruz, and Jos L. Medina-Franco 2. Computational Predictions for Multi-Target Drug Design Neelima Gupta, Prateek Pandya, and Seema Verma 3. Computational Multi-Target Drug Design Azizeh Abdolmaleki, Fereshteh Shiri, and Jahan Ghasemi Part II: Computational Multi-Target Drug Design: Literature Reviews 4. Multi-Target Drug Design for Neurodegenerative Diseases Marco Catto, Daniela Trisciuzzi, Domenico Alberga, Giuseppe Felice Mangiatordi, and Orazio Nicolotti 5. Molecular Docking Studies in Multi-Target Antitubercular Drug Discovery Jssika de Oliveira Viana, Marcus T. Scotti, and Luciana Scotti 6. Advanced Chemometric Modeling Approaches for the Design of Multi-Target Drugs against Neurodegenerative Diseases Amit Kumar Halder, Ana S. Moura, and M. Natlia Dias Soeiro Cordeiro 7. Computational Studies on Natural Products for the Development of Multi-Target Drugs Veronika Temml and Daniela Schuster 8. Computational Design of Multi-Target Drugs against Alzheimer’s Disease Sotirios Katsamakas and Dimitra Hadjipavlou-Litina 9. Design of Multi-Target Directed Ligands as a Modern Approach for the Development of Innovative Drug Candidates for Alzheimer’s Disease Cindy Juliet Cristancho Ortiz, Matheus de Freitas Silva, Vanessa Silva Gontijo, Flvia Pereira Dias Viegas, Kris Simone Tranches Dias, and Claudio Viegas Jr. Part III: Case Studies 10. Virtual Screening for Dual Hsp90/B-Raf Inhibitors Andrew Anighoro, Luca Pinzi, Giulio Rastelli, and Jrgen Bajorath 11. Strategies for Multi-Target Directed Ligands: Application in Alzheimer’s Disease (AD) Therapeutics Sucharita Das and Soumalee Basu 12. Computational Design of Multi-Target Kinase Inhibitors Sinoy Sugunan and Rajanikant G.K. 13. Proteochemometrics for the Prediction of Peptide Binding to Multiple HLA Class II Proteins Ivan Dimitrov, Ventsislav Yordanov, Darren R. Flower, and Irini Doytchinova 14. Linked Open Data: Ligand-Transporter Interaction Profiling and Beyond Stefanie Kickinger, Eva Hellsberg, Sankalp Jain, and Gerhard F. Ecker 15. Design of Novel Dual Target Hits against Malaria and Tuberculosis Using Computational Docking Manoj Kumar and Anuj Sharma 16. Computational Design of Multi-Target Drugs against Breast Cancer Shubhandra Tripathi, Gaurava Srivastava, and Ashok Sharma 17. Computational Methods for Multi-Target Drug Designing against Mycobacterium tuberculosis Gaurava Srivastava, Ashish Tiwari, and Ashok Sharma Part IV: Databases and Web Servers 18. Development of a Web-Server for Identification of Common Lead Molecules for Multiple Protein Targets Abhilash Jayaraj, Ruchika Bhat, Amita Pathak, Manpreet Singh, and B. Jayaram 19. Computational Method for Prediction of Targets for Breast Cancer Using siRNAs Approach Atul Tyagi, Mukti N. Mishra, and Ashok Sharma Part V: Special Topics 20. Historeceptomics: Integrating a Drug’s Multiple Targets (Polypharmacology) with Their Expression Pattern in Human Tissues Timothy Cardozo 21. Networking of Smart Drugs: A Chem-Bioinformatic Approach to Cancer Treatment Kavindra Kumar Kesari, Qazi Mohammad Sajid Jamal, Mohd. Haris Siddiqui, and Jamal Mohammad Arif
