Structure-Based Design of Novel Pyrimido[4,5-c]pyridazine Derivatives as Dihydropteroate Synthase Inhibitors with Increased Affinity

ChemMedChem

Volumn 7, Issue 5, 2012, Pages 861-870

  Zhao, Ying ^a   Hammoudeh, Dalia ^a   Yun, Mi Kyung ^a   Qi, Jianjun ^b   White, Stephen W ^a,b   Lee, Richard E ^a,b  

^a ST JUDE CHILDREN S RESEARCH HOSPITAL   (United States)

^b UNIVERSITY OF TENNESSEE HEALTH SCIENCE CENTER   (United States)

Author keywords

Antimicrobial agents; Dihydropteroate synthase; Heterocycles; Structure based drug design

Indexed keywords

2 (7 AMINO 1 METHYL 4,5 DIOXO 1,4,5,6 TETRAHYDROPYRIMIDO[4,5 C]PYRIDAZIN 3 YL)ACETIC ACID; 2 (7 AMINO 4,5 DIOXO 1,4,5,6 TETRAHYDROPYRIMIDO[4,5 C]PYRIDAZIN 3 YL)ACETIC ACID; 2 (7 AMINO 4,5 DIOXO 1,4,5,6 TETRAHYDROPYRIMIDO[4,5 C]PYRIDAZIN 3 YL)PROPANOIC ACID; 3 (7 AMINO 1 METHYL 4,5 DIOXO 1,4,5,6 TETRAHYDROPYRIMIDO[4,5 C]PYRIDAZIN 3 YL)BUTANOIC ACID; 3 (7 AMINO 1 METHYL 4,5 DIOXO 1,4,5,6 TETRAHYDROPYRIMIDO[4,5 C]PYRIDAZIN 3 YL)PROPANOIC ACID; 3 (7 AMINO 4,5 DIOXO 1,4,5,6 TETRAHYDROPYRIMIDO[4,5 C]PYRIDAZIN 3 YL)BUTANOIC ACID; 3 (7 AMINO 4,5 DIOXO 1,4,5,6 TETRAHYDROPYRIMIDO[4,5 C]PYRIDAZIN 3 YL)PROPANOIC ACID; 7 AMINO 1 METHYL 4,5 DIOXO 1,4,5,6 TETRAHYDROPYRIMIDO[4,5 C]PYRIDAZINE 3 CARBOXYLIC ACID; CARBOXYLIC ACID; ETHYL 2 (7 AMINO 1 BENZYL 4,5 DIOXO 1,4,5,6 TETRAHYDROPYRIMIDO[4,5 C]PYRIDAZIN 3 YL)ACETATE; ETHYL 2 (7 AMINO 1 BENZYL 4,5 DIOXO 1,4,5,6 TETRAHYDROPYRIMIDO[4,5 C]PYRIDAZIN 3 YL)PROPANOATE; METHYL 3 (7 AMINO 1 BENZYL 4,5 DIOXO 1,4,5,6 TETRAHYDROPYRIMIDO[4,5 C]PYRIDAZIN 3 YL)BUTANOATE; METHYL 3 (7 AMINO 1 BENZYL 4,5 DIOXO 1,4,5,6 TETRAHYDROPYRIMIDO[4,5 C]PYRIDAZIN 3 YL)PROPANOATE; METHYL 3 (7 AMINO 4,5 DIOXO 1,4,5,6 TETRAHYDROPYRIMIDO[4,5 C]PYRIDAZIN 3 YL)PROPANOATE; PTERIN; PYRIDAZINE DERIVATIVE; PYROPHOSPHATE; UNCLASSIFIED DRUG;

ARTICLE; BINDING AFFINITY; DRUG BINDING SITE; DRUG DESIGN; DRUG POTENCY; DRUG SYNTHESIS; ENZYME ACTIVITY; IC 50; ISOTHERMAL TITRATION CALORIMETRY; PRIORITY JOURNAL; STRUCTURE ACTIVITY RELATION; SUBSTITUTION REACTION; SURFACE PLASMON RESONANCE; THERMODYNAMICS; X RAY CRYSTALLOGRAPHY;

ANTI-BACTERIAL AGENTS; CRYSTALLOGRAPHY, X-RAY; DIHYDROPTEROATE SYNTHASE; DRUG DESIGN; ENZYME ACTIVATION; ENZYME INHIBITORS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PTERINS; PYRIDAZINES; STRUCTURE-ACTIVITY RELATIONSHIP; THERMODYNAMICS;

EID: 84860320818     PISSN: 18607179     EISSN: 18607187     Source Type: Journal    
DOI: 10.1002/cmdc.201200049     Document Type: Article

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