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Title Computational modeling of drugs against Alzheimer's disease / edited by Kunal Roy
Published New York, NY : Humana Press imprint is published by Springer Nature, [2018]
©2018

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Description 1 online resource (xvii, 645 pages) : illustrations (chiefly color)
Series Neuromethods, 1940-6045 ; 132
Springer protocols
Neuromethods ; 132. 0893-2336
Springer protocols (Series)
Contents An introduction to the disease. Alzheimer's disease therapy: present and future molecules / Awanish Kumar, Ashwini Kumar -- Computational modeling methods for anti-Alzheimer agents. Recent advances in computational approaches for designing potential anti-Alzheimer's agents / Sergi Gómez-Ganau, Jesús Vicente de Julián-Ortiz, Rafael Gozalbes -- 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 -- Virtual screening in the search of new and potent anti-Alzheimer agents / Livia Basile -- Molecular field topology analysis (MFTA) in the design of neuroprotective compounds / Eugene V. Radchenko, Vladimir A. Palyulin, Nikolay S. Zefirov -- Modeling of ligands acting against specific anti-Alzheimer drug targets. Galantamine derivatives as acetylcholinesterase inhibitors: docking, design, synthesis, and inhibitory activity / Irini Doytchinova, Mariyana Atanasova, Georgi Stavrakov, Irena Philipova, Dimitrina Zheleva-Dimitrova -- Modeling of BACE-1 inhibitors as anti-Alzheimer's agents / Odailson Santos Paz, Thamires Quadros Froes, Franco Henrique Leite, Marcelo Santos Castilho -- Design of anti-Alzheimer's disease agents focusing on a specific interaction with target biomolecules / Yoshio Hamada, Kenji Usui -- Molecular docking and molecular dynamics simulation to evaluate compounds that avoid the amyloid beta aggregation / Maricarmen Hernández Rodríguez, Leticia Guadalupe Fragoso Morales, José Correa Basurto, Martha Cecilia Rosales Hernández -- In silico strategies to design small molecules to study beta-amyloid aggregation / Praveen P.N. Rao, Deguo Du -- Computational approaches to understand cleavage mechanism of amyloid beta (A[beta]) peptide / Kailas Dashrath Sonawane, Maruti Jayaram Dhanavade -- Computational modeling of gamma-secretase inhibitors as anti-Alzheimer agents / Prabu Manoharan, Nanda Ghoshal -- Molecular modeling of tau proline-directed protein kinase (PDPK) inhibitors / Carlos Navarro-Retamal, Julio Caballero -- Computational modelling of kinase inhibitors as anti-Alzheimer agents / Mange Ram Yadav, Mahesh A. Barmade, Rupesh V. Chikhale, Prashant R. Murumkar -- 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 -- 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 -- Special topics. Computational approaches for therapeutic application of natural products in Alzheimer's disease / Manika Awasthi, Swati Singh, Sameeksha Tiwari, Veda P. Pandey, Upendra N. Dwivedi -- In silico studies applied to natural products with potential activity against Alzheimer's disease / Luciana Scotti, Marcus T. Scotti -- Computational modeling of multi-target-directed inhibitors against Alzheimer's disease / Akhil Kumar, Ashok Sharma -- 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 -- Computational nanotechnology: a tool for screening therapeutic nanomaterials against Alzheimer's disease / R. Navanietha Krishnaraj, Dipayan Samanta, Rajesh K. Sani
Summary "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"--Publisher's description
Bibliography Includes bibliographical references and index
Notes Online resource; title from electronic title page (SpringerLink, viewed October 5, 2017)
Subject Alzheimer's disease -- Chemotherapy -- Data processing
Drug development -- Data processing
Drugs -- Design.
Alzheimer Disease -- drug therapy
Drug Design
Drug Discovery -- methods
Computational Biology -- methods
Drugs -- Design
Form Electronic book
Genre/Form Laboratory manuals.
Manuels de laboratoire.
Author Roy, Kunal, 1971- editor.
ISBN 9781493974047
1493974041