NDLI: Systemic QSAR and phenotypic virtual screening: chasing butterflies in drug discovery

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Systemic QSAR and phenotypic virtual screening: chasing butterflies in drug discovery

Content Provider	Scilit
Author	Cruz-Monteagudo, Maykel Schürer, Stephan Tejera, Eduardo Pérez-Castillo, Yunierkis Medina-Franco, José L. Sánchez-Rodríguez, Aminael Borges, Fernanda
Copyright Year	2017
Description	Journal: Drug discovery today Current advances in systems biology suggest a new change of paradigm reinforcing the holistic nature of the drug discovery process. According to the principles of systems biology, a simple drug perturbing a network of targets can trigger complex reactions. Therefore, it is possible to connect initial events with final outcomes and consequently prioritize those events, leading to a desired effect. Here, we introduce a new concept, 'Systemic Chemogenomics/Quantitative Structure-Activity Relationship (QSAR)'. To elaborate on the concept, relevant information surrounding it is addressed. The concept is challenged by implementing a systemic QSAR approach for phenotypic virtual screening (VS) of candidate ligands acting as neuroprotective agents in Parkinson's disease (PD). The results support the suitability of the approach for the phenotypic prioritization of drug candidates.
Related Links	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5487293/pdf
ISSN	13596446
e-ISSN	18785832
DOI	10.1016/j.drudis.2017.02.004
Journal	Drug discovery today
Issue Number	7
Volume Number	22
Language	English
Publisher	Elsevier BV
Publisher Date	2017-07-01
Access Restriction	Open
Subject Keyword	Journal: Drug discovery today Medicinal Chemistry Butterfly Effect Drug Discovery Parkinson's Disease Phenotypic Virtual Screening Systemic Chemogenomics/qsar
Content Type	Text
Resource Type	Article
Subject	Drug Discovery Pharmacology

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