LAPSE:2020.0081
Published Article
LAPSE:2020.0081
Theoretical and Experimental Approaches Aimed at Drug Design Targeting Neurodegenerative Diseases
Samuel Morales-Navarro, Luis Prent-Peñaloza, Yeray A. Rodríguez Núñez, Laura Sánchez-Aros, Oscar Forero-Doria, Wendy González, Nuria E. Campilllo, Miguel Reyes-Parada, Ana Martínez, David Ramírez
January 19, 2020
In recent years, green chemistry has been strengthening, showing how basic and applied sciences advance globally, protecting the environment and human health. A clear example of this evolution is the synergy that now exists between theoretical and computational methods to design new drugs in the most efficient possible way, using the minimum of reagents and obtaining the maximum yield. The development of compounds with potential therapeutic activity against multiple targets associated with neurodegenerative diseases/disorders (NDD) such as Alzheimer’s disease is a hot topic in medical chemistry, where different scientists from various disciplines collaborate to find safe, active, and effective drugs. NDD are a public health problem, affecting mainly the population over 60 years old. To generate significant progress in the pharmacological treatment of NDD, it is necessary to employ different experimental strategies of green chemistry, medical chemistry, and molecular biology, coupled with computational and theoretical approaches such as molecular simulations and chemoinformatics, all framed in the rational drug design targeting NDD. Here, we review how green chemistry and computational approaches have been used to develop new compounds with the potential application against NDD, as well as the challenges and new directions of the drug development multidisciplinary process.
Keywords
chemoinformatics, drug design, Green chemistry, medical chemistry, molecular modeling, neurodegenerative diseases
Subject
Suggested Citation
Morales-Navarro S, Prent-Peñaloza L, Rodríguez Núñez YA, Sánchez-Aros L, Forero-Doria O, González W, Campilllo NE, Reyes-Parada M, Martínez A, Ramírez D. Theoretical and Experimental Approaches Aimed at Drug Design Targeting Neurodegenerative Diseases. (2020). LAPSE:2020.0081
Author Affiliations
Morales-Navarro S: Bachillerato en Ciencias, Facultad de Ciencias, Universidad Santo Tomás, Av. Circunvalación Poniente #1855, 3460000 Talca, Chile
Prent-Peñaloza L: Organic Synthesis Laboratory and Biological Activity (LSO-Act-Bio), Doctorado en Ciencias Aplicadas, Facultad de Ingeniería e Instituto de Química de Recursos Naturales, Universidad de Talca. 1 Poniente No. 1141, 3460000 Talca, Chile
Rodríguez Núñez YA: Departamento de Ciencias Químicas, Facultad de ciencias Exactas, Universidad Andrés Bello, Quillota 980, 2531015 Viña del Mar, Chile [ORCID]
Sánchez-Aros L: Centro de Bioinformática y Simulación Molecular (CBSM), Universidad de Talca. 1 Poniente No. 1141, 3460000 Talca, Chile
Forero-Doria O: Instituto de Química de Recursos Naturales, Universidad de Talca. 1 Poniente No. 1141, 3460000 Talca, Chile [ORCID]
González W: Centro de Bioinformática y Simulación Molecular (CBSM), Universidad de Talca. 1 Poniente No. 1141, 3460000 Talca, Chile; Millennium Nucleus of Ion Channels-Associated Diseases (MiNICAD), Universidad de Talca. 1 Poniente No. 1141, 3460000 Talca, Chile [ORCID]
Campilllo NE: Department of Chemical and Physical Biology, Centro de Investigaciones Biológicas (CIB, CSIC) Ramiro de Maeztu, 28040 Madrid, Spain
Reyes-Parada M: Centro de Investigación Biomédica y Aplicada (CIBAP), Escuela de Medicina, Facultad de Ciencias Médicas, Universidad de Santiago de Chile, Av. Libertador Bernardo O’Higgins 3677, 8900000 Santiago, Chile; Facultad de Ciencias de la Salud, Universidad [ORCID]
Martínez A: Department of Chemical and Physical Biology, Centro de Investigaciones Biológicas (CIB, CSIC) Ramiro de Maeztu, 28040 Madrid, Spain [ORCID]
Ramírez D: Instituto de Ciencias Biomédicas, Facultad de Ciencias de la Salud, Universidad Autónoma de Chile, El Llano Subercaseaux 2801—Piso 5, 8200000 Santiago, Chile [ORCID]
Journal Name
Processes
Volume
7
Issue
12
Article Number
E940
Year
2019
Publication Date
2019-12-10
Published Version
ISSN
2227-9717
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Original Submission
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PII: pr7120940, Publication Type: Review
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LAPSE:2020.0081
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doi:10.3390/pr7120940
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Jan 19, 2020
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CC BY 4.0
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Jan 19, 2020
 
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Calvin Tsay
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