Pharmacophore-based discovery of FXR agonists. Part I: Model development and experimental validation

Bioorganic and Medicinal Chemistry

Volumn 19, Issue 23, 2011, Pages 7168-7180

  Schuster, Daniela ^a   Markt, Patrick ^a   Grienke, Ulrike ^a   Mihaly Bison, Judit ^b   Binder, Markus ^b   Noha, Stefan M ^a   Rollinger, Judith M ^a   Stuppner, Hermann ^a   Bochkov, Valery N ^b   Wolber, Gerhard ^a,c  

^a UNIVERSITY OF INNSBRUCK   (Austria)

^b MEDICAL UNIVERSITY OF VIENNA   (Austria)

^c FREIE UNIVERSITÄT BERLIN   (Germany)

Author keywords

Farnesoid X receptor; FXR agonist; Lead identification; Molecular modeling; Virtual screening

Indexed keywords

3 [2 [2 CHLORO 4 [3 (2,6 DICHLOROPHENYL) 5 ISOPROPYL 4 ISOXAZOLYLMETHOXY]PHENYL]VINYL]BENZOIC ACID; CHENODEOXYCHOLIC ACID; FARNESOID X RECEPTOR; FARNESOID X RECEPTOR AGONIST; FEXARAMINE; GSK 088; GSK 8062; GSK 826; HORMONE RECEPTOR STIMULATING AGENT; PIPERAZINE DERIVATIVE; TUROFEXORATE ISOPROPYL; UNCLASSIFIED DRUG; XL 335;

ARTICLE; BINDING SITE; CELL STRAIN HEK293; CELL STRAIN HEPG2; CHEMICAL INTERACTION; CONFORMATIONAL TRANSITION; CONTROLLED STUDY; DATA BASE; DRUG ACTIVITY; DRUG RECEPTOR BINDING; DRUG SCREENING; DRUG STRUCTURE; DRUG SYNTHESIS; HUMAN; HUMAN CELL; PHARMACOPHORE; VALIDATION PROCESS;

BINDING SITES; DRUG DESIGN; HEK293 CELLS; HUMANS; MODELS, MOLECULAR; RECEPTORS, CYTOPLASMIC AND NUCLEAR; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 80655123188     PISSN: 09680896     EISSN: 14643391     Source Type: Journal    
DOI: 10.1016/j.bmc.2011.09.056     Document Type: Article

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