Risiken nicht verschreibungspflichtiger Medikamente

Rottlaender, Dennis; Hoppe, Uta C.

doi:10.1055/s-2008-1017490

Cited by 7 publications

(2 citation statements)

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“…Therefore, withdrawal as late as in clinical phase III, or even years after the successful market launch is likely. Prominent examples of such failures are astemizole, sertindole, terfenadine, cisapride, grepafloxacin, and more recently rofecoxib and clobutinol [115,116]. For all of them, a prolongation of the QT-interval in the surface electrocardiogram (ECG) has been observed.…”

Section: Herg-channel Blockadementioning

confidence: 99%

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In Silico Prediction of Drug Properties

Hutter

2009

CMC

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Drug design has become inconceivable without the assistance of computer-aided methods. In this context in silico was chosen as designation to emphasize the relationship to in vitro and in vivo testing. Nowadays, virtual screening covers much more than estimation of solubility and oral bioavailability of compounds. Along with the challenge of parsing virtual compound libraries, the necessity to model more specific metabolic and toxicological aspects has emerged. Here, recent developments in prediction models are summarized, covering optimization problems in the fields of cytochrome P450 metabolism, blood-brain-barrier permeability, central nervous system activity, and blockade of the hERG-potassium channel. Aspects arising from the use of homology models and quantum chemical calculations are considered with respect to the biological functions. Furthermore, approaches to distinguish drug-like substances from nondrugs by the means of machine learning algorithms are compared in order to derive guidelines for the design of new agents with appropriate properties.

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Section: Herg-channel Blockadementioning

confidence: 99%

“…These comprised amodiaquine, fluphenazine, fentanyl, melperone, and clobutinol. The latter is a commonly used antitussive that was eventually withdrawn one year later in 2007 after being in the market since 1961 [116].…”

Section: Herg-channel Blockadementioning

confidence: 99%