Paradoxical Increase of Permeability and Lipophilicity with the Increasing Topological Polar Surface Area within a Series of PRMT5 Inhibitors

Paradoxical Increase of Permeability and Lipophilicity with the Increasing Topological Polar Surface Area within a Series of PRMT5 Inhibitors

An imidazolone → triazolone replacement addressed the limited passive permeability of a series of protein arginine methyl transferase 5 (PRMT5) inhibitors. This increase in passive permeability was unexpected given the increase in the hydrogen bond acceptor (HBA) count and topological polar surface...

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Main Author: Upendra Argikar (13749024) (author)
Other Authors: Markus Blatter (2882495) (author), Dallas Bednarczyk (1730623) (author), Zhuoliang Chen (2746186) (author), Young Shin Cho (2074585) (author), Michaël Doré (2065459) (author), Jennifer L. Dumouchel (9282284) (author), Samuel Ho (2872097) (author), Klemens Hoegenauer (2828417) (author), Toshio Kawanami (3225996) (author), Simon Mathieu (1577410) (author), Erik Meredith (649220) (author), Henrik Möbitz (1528147) (author), Stephen K. Murphy (2141311) (author), Saravanan Parthasarathy (3014736) (author), Carole Pissot Soldermann (2458543) (author), Jobette Santos (13749027) (author), Serena Silver (13749030) (author), Suzanne Skolnik (1285788) (author), Aleksandar Stojanovic (422616) (author)
Published: 2022
Subjects:
Biophysics
Biochemistry
Cell Biology
Physiology
Pharmacology
Hematology
Environmental Sciences not elsewhere classified
Biological Sciences not elsewhere classified
Chemical Sciences not elsewhere classified
typically inversely correlated
real solvation ).
like screening model
hydrogen bond acceptor
electronically driven disconnect
design parameter leading
case study suggests
overall hba strength
also reduced p
limited passive permeability
improved passive permeability
hba moment descriptor
passive permeability
hba moment
unusual effect
unexpected given
subsequently deployed
rationally designed
quantum mechanics
hidden polarity
calculations revealed
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