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Web Date: December 24, 2012

Drug Design On The Fast Track

Drug Discovery: Computer modeling approach zeroes in on compounds that can hit multiple targets and avoid side effects
Department: Science & Technology | Collection: Life Sciences
News Channels: Biological SCENE, Organic SCENE
Keywords: drug discovery, structure-activity relationships (SARs), polypharmacology

Improving existing drugs and finding new ones that will treat diseases with fewer side effects could be fast-tracked by computerized mimicking and automation of drug design approaches medicinal chemists already use.

The new computational drug discovery technique, its developers say, quickly identifies and optimizes drugs that interact with multiple protein targets to combat given diseases. At the same time, the system looks to minimize or eliminate target binding that could result in serious side effects.

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Chemical & Engineering News
ISSN 0009-2347
Copyright © American Chemical Society