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21st European Symposium on Quantitative Structure-...

The EuroQSAR Symposia have been taking place since 1973 and constitute major scientific events in the field of computational drug design, with further applications in agricultural and environmental sciences. The 21st EuroQSAR 2016 symposium, entitled “Where Molecular Simulations Meet Drug Discovery” to highlight the importance of atomistic and molecular simulations in drug discovery, will take place from September 4-8,...

10th EFMC Short Course on Medicinal Chemistry Apri...

In 2009, EFMC launched a series of short courses aimed to favour cultural and scientific growth of the medicinal chemistry community and organized with affordable fees for participation. EFMC will continue the tradition in 2015, and is pleased to announce the following courses: 10th EFMC Short Course on Medicinal Chemistry Small-Molecule Modulation of Protein-Protein Interactions (PPIs) Oegstgeest (near Leiden), The...

Two-Layer Screen Locates Both Drugs and Targets

Scripps researchers are exploring a new screening method that combines a phenotype-based screen for compounds with a desired cellular effect, and a target-based screen to determine which molecular pathways are being affected. Rather than a purely phenotypic model, which often reveals promising drugs but does not reveal why they work, or a purely target-based model, which may exclude effective compounds because they do not hit...

Multitarget paradigm in drug discovery

Increasing evidence that several drug compounds exert their effects through interactions with multiple targets is boosting the development of research fields that challenge the data reductionism approach. In this article, we review and discuss the concepts of drug repurposing, polypharmacology, chemogenomics, phenotypic screening and high-throughput in vivo testing of mixture-based libraries in an integrated manner. These...

Online resources supporting drug discovery

Abstract Online resources enabling and supporting drug discovery have blossomed during the past ten years. However, drug hunters commonly find themselves overwhelmed by the proliferation of these computer-based resources. Ten years ago, we, the authors of this review, felt that a comprehensive list of in silico resources relating to drug discovery was needed. Especially because the internet provides a wealth of inspiring...

Fast-acting antidepressant agent discovered

Scientists from the University of Chicago have identified a potential new type of antidepressant therapeutic that selectively blocks a serotonin receptor subtype and provides fast-acting relief in mice. The discovery could eventually lead to a new class of drugs that treat depression, which have been difficult to develop because of the varying benefits the drugs provide to patients. More than one in 10 Americans take...
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