The role of fluorine in stabilizing the bioactive conformation of dihydroorotate dehydrogenase inhibitors

Journal of Molecular Modeling

Volumn 19, Issue 3, 2013, Pages 1099-1107

  Bonomo, Silvia ^a   Tosco, Paolo ^a   Giorgis, Marta ^a   Lolli, Marco ^a   Fruttero, Roberta ^a  

^a UNIVERSITY OF TURIN   (Italy)

Author keywords

Bioactive conformation; DHODH inhibitor; Fluorine; PES scan; Strain energy

Indexed keywords

BREQUINAR; DIHYDROOROTATE DEHYDROGENASE; DIHYDROOROTATE DEHYDROGENASE INHIBITOR; FLUORINE; LEFLUNOMIDE;

ARTICLE; ATOM; CONFORMATION; DRUG ACTIVITY; DRUG POTENCY; DRUG STABILITY; DRUG STRUCTURE; FLUORINATION; MOLECULAR DOCKING; PRIORITY JOURNAL; SUBSTITUTION REACTION;

ENZYME INHIBITORS; FLUORINE; MODELS, MOLECULAR; MOLECULAR DOCKING SIMULATION; OXADIAZOLES; OXIDOREDUCTASES ACTING ON CH-CH GROUP DONORS; PYRIMIDINES;

EID: 84877153436     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-012-1643-5     Document Type: Article

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