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Polypharmacology of dopamine receptor ligands
Progress in Neurobiology, 2016Most neurological diseases have a multifactorial nature and the number of molecular mechanisms discovered as underpinning these diseases is continuously evolving. The old concept of developing selective agents for a single target does not fit with the medical need of most neurological diseases.
BUTINI, STEFANIA +10 more
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Conciliating binding efficiency and polypharmacology
Trends in Pharmacological Sciences, 2009The association between molecular size and risk of failure has promoted the use of binding efficiency as a prioritization metric in lead selection. Even though by extension it is often referred to as "ligand efficiency", the concept was originally conceived to be strictly applicable to comparing the binding efficiencies of ligands for a single target ...
Jordi, Mestres +1 more
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The Polypharmacology of Natural Products
Future Medicinal Chemistry, 2018The once-popular approach of using natural products as a prime source for medicinal chemistry and drug discovery has waned considerably in the past two decades due to the advent of high-throughput screening of small molecule mega libraries. However, the growing appreciation of network pharmacology as the next drug-discovery paradigm suggests that ...
Tu T, Ho +2 more
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Polypharmacology – Foe or Friend?
Journal of Medicinal Chemistry, 2013Polypharmacology describes the activity of compounds at multiple targets. Current research focuses on two aspects of polypharmacology: (1) unintended polypharmacology can lead to adverse effects; (2) polypharmacology across several disease-relevant targets can improve therapeutic efficacy, prevent drug resistance, or reduce therapeutic-target-related ...
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Polypharmacology of Approved Anticancer Drugs
Current Drug Targets, 2017The major drug discovery efforts in oncology have been concentrated on the development of selective molecules that are supposed to act specifically on one anticancer mechanism by modulating a single or several closely related drug targets. However, a bird's eye view on data from multiple available bioassays implies that most approved anticancer agents ...
Amelio, Ivano +4 more
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Computational Tools for Polypharmacology and Repurposing
Future Medicinal Chemistry, 2011Most drugs act on a multitude of targets rather than on one single target. Polypharmacology, an upcoming branch of pharmaceutical science, deals with the recognition of these off-target activities of small chemical compounds. Due to the high amount of data to be processed, application of computational methods is indispensable in this area.
Janosch, Achenbach +3 more
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Exploring Polypharmacology in Drug Design
2018Nowadays it is widely accepted that one compound can be able to hit several targets at once. This "magic shotgun" approach for drug development properly describes the mechanism of biomolecular recognition. The need to take into account the polypharmacology in structure-based drug design has led to the development of several computational tools. Here we
Patricia, Saenz-Méndez +1 more
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Polypharmacology Shakes Hands with Complex Aetiopathology
Trends in Pharmacological Sciences, 2015Chronic diseases are due to deviations of fundamental physiological systems, with different pathologies being characterised by similar malfunctioning biological networks. The ensuing compensatory mechanisms may weaken the body's dynamic ability to respond to further insults and reduce the efficacy of conventional single target treatments.
James S, Brodie +2 more
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PubChem as a Source of Polypharmacology
Journal of Chemical Information and Modeling, 2009Polypharmacology provides a new way to address the issue of high attrition rates arising from lack of efficacy and toxicity. However, the development of polypharmacology is hampered by the incomplete SAR data and limited resources for validating target combinations. The PubChem bioassay collection, reporting the activity of compounds in multiple assays,
Bin, Chen, David, Wild, Rajarshi, Guha
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Modeling Polypharmacological Profiles by Affinity Fingerprinting
Current Pharmaceutical Design, 2017Single target based approaches often proved to be unsuccessful in complex multigenic diseases such as cancer or schizophrenia. Multi-target drugs can be more efficacious in this regard by modulating multiple processes in the organism. According to the theory of polypharmacology, bioactive molecules possess characteristic interaction patterns that are ...
Agnes, Peragovics +3 more
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