ENGLISH

COMPUTATIONAL MODELING OF DRUGS AGAINST ALZHEIMER S DISEASE

Book information

Publisher
Humana
Year
2017
ISBN
978-1-4939-7404-7, 1493974041, 978-1-4939-7403-0
Language
english
Format
PDF
Filesize
21 MB (22542963 bytes)
Pages
\642
Time added
2017-10-15 16:00:00

Description

This volume describes different computational methods encompassing ligand-based approaches (QSAR, pharmcophore), structure-based approaches (homology modeling, docking, molecular dynamics simulation), and combined approaches (virtual screening) with applications in anti-Alzheimer drug design. Different background topics like molecular etiologies of Alzheimer’s disease, targets for new drug development, and different cheminformatic modeling strategies are covered for completeness. Special topics like multi-target drug development, natural products, protein misfolding, and nanomaterials are also included in connection with computational modeling of anti-Alzheimer drug development. In Neuromethods series style, chapters include the kind of detail and key advice from the specialists needed to get successful results in your laboratory. Cutting-edge and authoritative, Computational Modeling of Drugs Against Alzheimer’s Disease is a valuable resource for learning about the latest computational techniques used to study this disease. Front Matter ....Pages i-xvii Front Matter ....Pages 1-1 Alzheimer’s Disease Therapy: Present and Future Molecules (Awanish Kumar, Ashwini Kumar)....Pages 3-22 Front Matter ....Pages 23-23 Recent Advances in Computational Approaches for Designing Potential Anti-Alzheimer’s Agents (Sergi Gómez-Ganau, Jesús Vicente de Julián-Ortiz, Rafael Gozalbes)....Pages 25-59 Computer-Aided Drug Design Approaches to Study Key Therapeutic Targets in Alzheimer’s Disease (Agostinho Lemos, Rita Melo, Irina S. Moreira, M. Natália D. S. Cordeiro)....Pages 61-106 Virtual Screening in the Search of New and Potent Anti-Alzheimer Agents (Livia Basile)....Pages 107-137 Molecular Field Topology Analysis (MFTA) in the Design of Neuroprotective Compounds (Eugene V. Radchenko, Vladimir A. Palyulin, Nikolay S. Zefirov)....Pages 139-159 Front Matter ....Pages 161-161 Galantamine Derivatives as Acetylcholinesterase Inhibitors: Docking, Design, Synthesis, and Inhibitory Activity (Irini Doytchinova, Mariyana Atanasova, Georgi Stavrakov, Irena Philipova, Dimitrina Zheleva-Dimitrova)....Pages 163-176 Modeling of BACE-1 Inhibitors as Anti-Alzheimer’s Agents (Odailson Santos Paz, Thamires Quadros Froes, Franco Henrique Leite, Marcelo Santos Castilho)....Pages 177-206 Design of Anti-Alzheimer’s Disease Agents Focusing on a Specific Interaction with Target Biomolecules (Yoshio Hamada, Kenji Usui)....Pages 207-228 Molecular Docking and Molecular Dynamics Simulation to Evaluate Compounds That Avoid the Amyloid Beta 1-42 Aggregation (Maricarmen Hernández Rodríguez, Leticia Guadalupe Fragoso Morales, José Correa Basurto, Martha Cecilia Rosales Hernández)....Pages 229-248 In Silico Strategies to Design Small Molecules to Study Beta-Amyloid Aggregation (Praveen P. N. Rao, Deguo Du)....Pages 249-261 Computational Approaches to Understand Cleavage Mechanism of Amyloid Beta (Aβ) Peptide (Kailas Dashrath Sonawane, Maruti Jayaram Dhanavade)....Pages 263-282 Computational Modeling of Gamma-Secretase Inhibitors as Anti-Alzheimer Agents (Prabu Manoharan, Nanda Ghoshal)....Pages 283-303 Molecular Modeling of Tau Proline-Directed Protein Kinase (PDPK) Inhibitors (Carlos Navarro-Retamal, Julio Caballero)....Pages 305-345 Computational Modelling of Kinase Inhibitors as Anti-Alzheimer Agents (Mange Ram Yadav, Mahesh A. Barmade, Rupesh V. Chikhale, Prashant R. Murumkar)....Pages 347-417 Computational Modeling of Drugs for Alzheimer’s Disease: Design of Serotonin 5-HT6 Antagonists (Ádám A. Kelemen, Stefan Mordalski, Andrzej J. Bojarski, György M. Keserű)....Pages 419-461 Computational Modeling of Diagnostic Imaging Agents for Alzheimer’s Disease: Molecular Imaging Agents for the In Vivo Detection of Amyloid Plaques in Alzheimer’s Disease (Dionysia Papagiannopoulou, Dimitra Hadjipavlou-Litina)....Pages 463-479 Front Matter ....Pages 481-481 Computational Approaches for Therapeutic Application of Natural Products in Alzheimer’s Disease (Manika Awasthi, Swati Singh, Sameeksha Tiwari, Veda P. Pandey, Upendra N. Dwivedi)....Pages 483-511 In Silico Studies Applied to Natural Products with Potential Activity Against Alzheimer’s Disease (Luciana Scotti, Marcus T. Scotti)....Pages 513-531 Computational Modeling of Multi-target-Directed Inhibitors Against Alzheimer’s Disease (Akhil Kumar, Ashok Sharma)....Pages 533-571 Neuropharmacology in Flux: Molecular Modeling Tools for Understanding Protein Conformational Shifts in Alzheimer’s Disease and Related Disorders (Gerald H. Lushington, Frances E. S. Parker, Thomas H. W. Lushington, Nora M. Wallace)....Pages 573-611 Computational Nanotechnology: A Tool for Screening Therapeutic Nanomaterials Against Alzheimer’s Disease (R. Navanietha Krishnaraj, Dipayan Samanta, Rajesh K. Sani)....Pages 613-635 Back Matter ....Pages 637-645

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