ADMET and DMPK  

Leveraging chromatography based physicochemical properties for efficient drug design

Gilles H. Goetz, Marina Shalaeva

Abstract


Applications of chromatography derived lipophilicity, polarity, and 3D concepts such as conformational states, exposed polarity and intramolecular hydrogen bonds (IMHB), are discussed along with recently developed methods for incorporating these concepts into drug design strategies. In addition, the drug design process is described with examples and practices used at Pfizer, as well as experimental and computed parameters used for parallel optimization of properties leading to drug candidate nominations.


Keywords


ElogD, EPSA; lipophilicity, exposed polarity, drug design

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DOI: http://dx.doi.org/10.5599/admet.529

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ISSN 1848-7718