Multi-Target Drug Design Using Chem-Bioinformatic Approaches, 1st ed. 2019
Methods in Pharmacology and Toxicology Series

Coordinator: Roy Kunal

Language: Anglais
Cover of the book Multi-Target Drug Design Using Chem-Bioinformatic Approaches

Subject for Multi-Target Drug Design Using Chem-Bioinformatic Approaches

Keywords

Cheminformatics;Polypharmacology;Computational modeling;Drug discovery;Multiple protein targets;Rational drug design;Pharmacophore modeling;Chemometrics

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563 p. · 17.8x25.4 cm · Hardback
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.

Part I: Chem-Bioinformatic Tools

 

1. Cheminformatics Approaches to Study Drug Polypharmacology

            J. Jesús Naveja, Fernanda I. Saldívar-González, Norberto Sánchez-Cruz, and José 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

            Jéssika 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. Natália 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, Flávia 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 Jürgen Bajorath

 

11. Strategies for Multi-Target Directed Ligands: Application in Alzheimer's Disease (AD) Therapeutics

            Sucharita Das and Soumalee Basu

 

12. ComputationalDesignof 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

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.
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