AFMoC enhances predictivity of 3D QSAR: A case study with DOXP-reductoisomerase

Journal of Medicinal Chemistry

Volumn 48, Issue 10, 2005, Pages 3547-3563

  Silber, Katrin ^a   Heidler, Philipp ^a   Kurz, Thomas ^b   Klebe, Gerhard ^a  

^a PHILIPPS UNIVERSITY MARBURG   (Germany)

^b UNIVERSITY OF HAMBURG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

1 DEOXYXYLULOSE 5 PHOSPHATE REDUCTOISOMERASE; 3 (N ACETYL N HYDROXYAMINO)PROPYLPHOSPHONIC ACID; BC 183; D 28; DOCKING PROTEIN; ENZYME INHIBITOR; FOSMIDOMYCIN; FR900098; ISOMERASE; ISOMERASE INHIBITOR; ISOPRENOID; KL 562; LD 11; LD 14; LD 15; LD 16; LD 26; LD 27; LD 28; LIHP 83; LIHP 84; LIHP 86; LIHP 87; LIHP 88; LIHP 89; LIHP87; LTB 104; LTB 59; LTB 60; LTB 65; LTB 66; LTB 71; LTB 75; LTB 77; LTB 860; LTB 95; LTB 96; LTB 97; TK 54; TK 85; UK 153; UK 163; UK 213; UK 2203; UK 2213; UK 243; UK 513; UK 613; UK 711; UK 721; UK 811; UK 821; UK 921; UNCLASSIFIED DRUG;

ARTICLE; BINDING AFFINITY; DRUG POTENCY; DRUG SYNTHESIS; ENZYME INHIBITION; MALARIA; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STRUCTURE ACTIVITY RELATION; STRUCTURE ANALYSIS; X RAY ANALYSIS;

ALDOSE-KETOSE ISOMERASES; ANTIMALARIALS; BINDING SITES; CRYSTALLOGRAPHY, X-RAY; FOSFOMYCIN; LIGANDS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; MULTIENZYME COMPLEXES; OXIDOREDUCTASES; PROTEIN BINDING; PROTEIN CONFORMATION; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 18744377281     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm0491501     Document Type: Article

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