COMPUTATIONAL MODELING OF DRUGS AGAINST ALZHEIMER S 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