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概要

Computational Strategies for Drug Reprofiling

Serban San-Marina, Rajeesh Gupta and Ionel Iosif

This article introduces some of the recent developments in drug re-profiling with emphasis on how computational chemistry and biology approaches together with access to public databases can help generate new leads from existing drugs. It discusses the drawbacks of high-throughput (HTS) genomics and how the concepts of target polypharmacology can help speed up delivery of the next generation of drugs. Some of the successful strategies for drug re-profiling are presented and computational tools are discussed.