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.

Includes in-depth explorations of a variety of multi-target drug design approaches Provides the kind of hands-on detail that will greatly aid practicing scientists Features key practical advice from experts in the field

Autorentext
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.

Inhalt

Cheminformatics Approaches to Study Drug Polypharmacology.- Computational Predictions for Multi-Target Drug Design.- Computational Multi-Target Drug Design.- Multi-Target Drug Design for Neurodegenerative Diseases.- Molecular Docking Studies in Multi-Target Antitubercular Drug Discovery.- Advanced Chemometric Modeling Approaches for the Design of Multi-Target Drugs against Neurodegenerative Diseases.- Computational Studies on Natural Products for the Development of Multi-Target Drugs.- Computational Design of Multi-Target Drugs against Alzheimer's Disease.- Design of Multi-Target Directed Ligands as a Modern Approach for the Development of Innovative Drug Candidates for Alzheimer's Disease.- Virtual Screening for Dual Hsp90/B-Raf Inhibitors.- Strategies for Multi-Target Directed Ligands: Application in Alzheimer's Disease (AD) Therapeutics.- Computational ** Design ** of Multi-Target Kinase Inhibitors.- Proteochemometrics for the Prediction of Peptide Binding to Multiple HLAClass II Proteins.- Linked Open Data: Ligand-Transporter Interaction Profiling and Beyond.- Design of Novel Dual Target Hits against Malaria and Tuberculosis Using Computational Docking.- Computational Design of Multi-Target Drugs against Breast Cancer.- Computational Methods for Multi-Target Drug Designing against Mycobacterium tuberculosis.- Development of a Web-Server for Identification of Common Lead Molecules for Multiple Protein Targets.- Computational Method for Prediction of Targets for Breast Cancer Using siRNAs Approach.- Historeceptomics: Integrating a Drug's Multiple Targets (Polypharmacology) with Their Expression Pattern in Human Tissues.- Networking of Smart Drugs: A Chem-Bioinformatic Approach to Cancer Treatment.