From flamingo dance to (desirable) drug discovery: a nature-inspired approach
Por:
Sánchez-Rodríguez A., Pérez-Castillo Y., Schürer S.C., Nicolotti O., Mangiatordi G.F., Borges F., Cordeiro, M. Natalia D. S., Tejera E., Medina-Franco J.L., Cruz-Monteagudo M.
Publicada:
1 oct 2017
Resumen:
The therapeutic effects of drugs are well known to result from their
interaction with multiple intracellular targets. Accordingly, the pharma
industry is currently moving from a reductionist approach based on a
`one-target fixation' to a holistic multitarget approach. However, many
drug discovery practices are still procedural abstractions resulting
from the attempt to understand and address the action of biologically
active compounds while preventing adverse effects. Here, we discuss how
drug discovery can benefit from the principles of evolutionary biology
and report two real-life case studies. We do so by focusing on the
desirability principle, and its many features and applications, such as
machine learning-based multicriteria virtual screening.
Filiaciones:
Sánchez-Rodríguez A.:
Univ Tecn Particular Loja, Dept Ciencias Nat, Calle Paris S-N,EC1101608, Loja, Ecuador
Departamento de Ciencias Naturales, Universidad Técnica Particular de Loja, Calle París S/N, EC1101608, Loja, Ecuador
Pérez-Castillo Y.:
Univ Las Amer, Fac Med, Quito 170513, Ecuador
Facultad de Medicina, Universidad de Las Américas, Quito, 170513, Ecuador
Schürer S.C.:
Univ Miami, Miller Sch Med, Dept Mol & Cellular Pharmacol, Miami, FL 33136 USA
Univ Miami, Ctr Computat Sci, Miami, FL 33136 USA
Department of Molecular and Cellular Pharmacology, Miller School of Medicine and Center for Computational Science, University of Miami, Miami, FL 33136, United States
Nicolotti O.:
Univ Bari Aldo Moro, Dipartimento Farm Sci Farmaco, I-072006 Bari, Italy
Dipartimento di Farmacia – Scienze del Farmaco, Università di Bari Aldo Moro, Bari, 072006, Italy
Mangiatordi G.F.:
Univ Bari Aldo Moro, Dipartimento Farm Sci Farmaco, I-072006 Bari, Italy
Dipartimento di Farmacia – Scienze del Farmaco, Università di Bari Aldo Moro, Bari, 072006, Italy
Borges F.:
Univ Porto, CIQUP Dept Quim & Bioquim, Fac Ciencias, P-4169007 Oporto, Portugal
CIQUP/Departamento de Química e Bioquímica, Faculdade de Ciências, Universidade do Porto, Porto, 4169-007, Portugal
Cordeiro, M. Natalia D. S.:
Univ Porto, REQUIMTE Dept Quim & Bioquim, Fac Ciencias, P-4169007 Oporto, Portugal
Tejera E.:
Univ Las Amer, Fac Med, Quito 170513, Ecuador
Facultad de Medicina, Universidad de Las Américas, Quito, 170513, Ecuador
Medina-Franco J.L.:
Univ Nacl Autonoma Mexico, Dept Farm, Fac Quim, Ave Univ 3000, Mexico City 04510, DF, Mexico
Universidad Nacional Autónoma de México, Departamento de Farmacia, Facultad de Química, Avenida Universidad 3000, Mexico City, 04510, Mexico
Cruz-Monteagudo M.:
Univ Miami, Miller Sch Med, Dept Mol & Cellular Pharmacol, Miami, FL 33136 USA
Univ Miami, Ctr Computat Sci, Miami, FL 33136 USA
Univ Porto, CIQUP Dept Quim & Bioquim, Fac Ciencias, P-4169007 Oporto, Portugal
Univ Porto, REQUIMTE Dept Quim & Bioquim, Fac Ciencias, P-4169007 Oporto, Portugal
West Coast Univ, Dept Gen Educ, Miami Campus, Doral, FL 33178 USA
Department of Molecular and Cellular Pharmacology, Miller School of Medicine and Center for Computational Science, University of Miami, Miami, FL 33136, United States
CIQUP/Departamento de Química e Bioquímica, Faculdade de Ciências, Universidade do Porto, Porto, 4169-007, Portugal
REQUIMTE/Departamento de Química e Bioquímica, Faculdade de Ciências, Universidade do Porto, Porto, 4169-007, Portugal
Department of General Education, West Coast University—Miami Campus, Doral, FL 33178, United States
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