PF-04859989 as a template for structure-based drug design: Identification of new pyrazole series of irreversible KAT II inhibitors with improved lipophilic efficiency - Dounay, Amy B.; Anderson, Marie; Bechle, Bruce M.; Evrard, Edelweiss; Gan, Xinmin; Kim, Ji-Young; McAllister, Laura A.; Pandit, Jayvardhan; Rong, SuoBao; Salafia, Michelle A.; Tuttle, Jamison B.; Zawadzke, Laura E.; et al. (Bioorganic & medicinal chemistry letters, 2013)
Keywords: Catalytic Domain - drug effects; Chemistry; Chemistry, Medicinal; Chemistry, Organic; Crystallography, X-Ray; Dose-Response Relationship, Drug; Drug Design; drugs; Enzyme Inhibitors - chemical synthesis; Enzyme Inhibitors - chemistry; Enzyme Inhibitors - pharmacology; Humans; Hydrophobic and Hydrophilic Interactions - drug effects; Irreversible inhibitor; Kynurenic acid; Kynurenine aminotransferase; Kynurenine pathway; Life Sciences & Biomedicine; Lipophilic efficiency; Mechanism-based inactivator; Models, Molecular; Molecular Structure; Pharmacology & Pharmacy; Physical Sciences; physicochemical properties; Pyrazoles - chemical synthesis; Pyrazoles - chemistry; Pyrazoles - pharmacology; Schizophrenia; Science & Technology; Structure-Activity Relationship; Transaminases - antagonists & inhibitors; Transaminases - metabolism; X-ray diffraction; Irreversible inhibitor; Lipophilic efficiency; Kynurenine aminotransferase; Mechanism-based inactivator; Schizophrenia; Kynurenic acid; Kynurenine pathway; ACID; CRYSTAL-STRUCTURE; CEREBROSPINAL-FLUID; DISCOVERY; REDUCTION; ELEVATED LEVELS; KYNURENINE AMINOTRANSFERASE-II