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From flamingo dance to (desirable) drug discovery: a nature-inspired approach.

ABSTRACT: 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.

SUBMITTER: Sanchez-Rodriguez A

PROVIDER: S-EPMC5650527 | biostudies-literature | 2017 Oct

REPOSITORIES: biostudies-literature

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From flamingo dance to (desirable) drug discovery: a nature-inspired approach.

Sánchez-Rodríguez Aminael A Pérez-Castillo Yunierkis Y Schürer Stephan C SC Nicolotti Orazio O Mangiatordi Giuseppe Felice GF Borges Fernanda F Cordeiro M Natalia D S MNDS Tejera Eduardo E Medina-Franco José L JL Cruz-Monteagudo Maykel M

Drug discovery today 20170615 10

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 d ...[more]

PMID: 28624633

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