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Review article

https://doi.org/10.5599/admet.529

Leveraging chromatography based physicochemical properties for efficient drug design

Gilles H. Goetz orcid id orcid.org/0000-0001-5316-1586 ; Molecular Properties Group, Worldwide Medicinal Chemistry, Pfizer Worldwide Research & Development, Pfizer, Inc., Groton, Connecticut 06340, United States
Marina Shalaeva ; Molecular Properties Group, Worldwide Medicinal Chemistry, Pfizer Worldwide Research & Development, Pfizer, Inc., Groton, Connecticut 06340, United States


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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

Hrčak ID:

201567

URI

https://hrcak.srce.hr/201567

Publication date:

16.6.2018.

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