ADMET and DMPK, Vol. 6 No. 2, 2018.
Review article
https://doi.org/10.5599/admet.529
Leveraging chromatography based physicochemical properties for efficient drug design
Gilles H. Goetz
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
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
Publication date:
16.6.2018.
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