Multi-Target Drug Design Using Chem-Bioinformatic Approaches

Front Matter ....Pages i-xvi
Front Matter ....Pages 1-1
 Cheminformatics Approaches to Study Drug Polypharmacology  (J. Jesús Naveja, Fernanda I. Saldívar-González, Norberto Sánchez-Cruz, José L. Medina-Franco)....Pages 3-25
 Computational Predictions for Multi-Target Drug Design  (Neelima Gupta, Prateek Pandya, Seema Verma)....Pages 27-50
 Computational Multi-Target Drug Design  (Azizeh Abdolmaleki, Fereshteh Shiri, Jahan B. Ghasemi)....Pages 51-90
Front Matter ....Pages 91-91
 Multitarget Drug Design for Neurodegenerative Diseases  (Marco Catto, Daniela Trisciuzzi, Domenico Alberga, Giuseppe Felice Mangiatordi, Orazio Nicolotti)....Pages 93-105
 Molecular Docking Studies in Multitarget Antitubercular Drug Discovery  (Jéssika de Oliveira Viana, Marcus T. Scotti, Luciana Scotti)....Pages 107-154
 Advanced Chemometric Modeling Approaches for the Design of Multitarget Drugs Against Neurodegenerative Diseases  (Amit Kumar Halder, Ana S. Moura, M. Natália D. S. Cordeiro)....Pages 155-186
 Computational Studies on Natural Products for the Development of Multi-target Drugs  (Veronika Temml, Daniela Schuster)....Pages 187-201
 Computational Design of Multitarget Drugs Against Alzheimer’s Disease  (Sotirios Katsamakas, Dimitra Hadjipavlou-Litina)....Pages 203-253
 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, Claudio Viegas Jr.)....Pages 255-351
Front Matter ....Pages 353-353
 Virtual Screening for Dual Hsp90/B-Raf Inhibitors  (Andrew Anighoro, Luca Pinzi, Giulio Rastelli, Jürgen Bajorath)....Pages 355-365
 Strategies for Multi-Target Directed Ligands: Application in Alzheimer’s Disease (AD) Therapeutics  (Sucharita Das, Soumalee Basu)....Pages 367-383
 Computational Design of Multi-target Kinase Inhibitors  (Sinoy Sugunan, Rajanikant G. K.)....Pages 385-394
 Proteochemometrics for the Prediction of Peptide Binding to Multiple HLA Class II Proteins  (Ivan Dimitrov, Ventsislav Yordanov, Darren R. Flower, Irini Doytchinova)....Pages 395-404
 Linked Open Data: Ligand-Transporter Interaction Profiling and Beyond  (Stefanie Kickinger, Eva Hellsberg, Sankalp Jain, Gerhard F. Ecker)....Pages 405-417
 Design of Novel Dual-Target Hits Against Malaria and Tuberculosis Using Computational Docking  (Manoj Kumar, Anuj Sharma)....Pages 419-442
 Computational Design of Multi-Target Drugs Against Breast Cancer  (Shubhandra Tripathi, Gaurava Srivastava, Ashok Sharma)....Pages 443-458
 Computational Methods for Multi-Target Drug Designing Against Mycobacterium tuberculosis  (Gaurava Srivastava, Ashish Tiwari, Ashok Sharma)....Pages 459-483
Front Matter ....Pages 485-485
 Development of a Web-Server for Identification of Common Lead Molecules for Multiple Protein Targets  (Abhilash Jayaraj, Ruchika Bhat, Amita Pathak, Manpreet Singh, B. Jayaram)....Pages 487-504
 Computational Method for Prediction of Targets for Breast Cancer Using siRNA Approach  (Atul Tyagi, Mukti N. Mishra, Ashok Sharma)....Pages 505-513
Front Matter ....Pages 515-515
 Historeceptomics: Integrating a Drug’s Multiple Targets (Polypharmacology) with Their Expression Pattern in Human Tissues  (Timothy Cardozo)....Pages 517-528
 Networking of Smart Drugs: A Chem-Bioinformatic Approach to Cancer Treatment  (Kavindra Kumar Kesari, Qazi Mohammad Sajid Jamal, Mohd. Haris Siddiqui, Jamal Mohammad Arif)....Pages 529-555
Back Matter ....Pages 557-563