Main 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.

Contents:

Part I: Chem-Bioinformatic Tools

1. Cheminformatics Approaches to Study Drug Polypharmacology

J. Jesus Naveja, Fernanda I. Saldivar-Gonzalez, Norberto Sanchez-Cruz, and Jose 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

Jessika 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. Nata lia 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, Flavia 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 Jurgen 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