Synthesis and QSAR studies of novel triazole compounds containing thioamide as potential antifungal agents

Bioorganic and Medicinal Chemistry

Volumn 14, Issue 21, 2006, Pages 7146-7153

  Wei, Qing Li ^a   Zhang, Shu Sheng ^a   Gao, Jun ^a   Li, Wei hua ^b,c   Xu, Liang Zhong ^a   Yu, Zhi Gang ^b  

^a QINGDAO UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b OCEAN UNIVERSITY OF CHINA   (China)

^c INSTITUTE OF OCEANOLOGY   (China)

Author keywords

B3LYP 6 31G*; DFT; QSAR; SMR; Thioamide; Triazole compounds

Indexed keywords

1 [1 (2 FLUORO 4 METHYLPHENYL) 1 OXO 3 (PHENYLAMINO) 3 THIOXOPROPAN 2 YL] 1H 1,2,4 TRIAZOLE 3 CARBOXYLIC ACID; 1 [1 (2 FLUORO 5 METHYLPHENYL) 1 OXO 3(PHENYLAMINO) 3 THIOXOPROPAN 2 YL] 1H 1,2,4 TRIAZOLE 3 CARBOXYLIC ACID; 1 [1 (2,4 DICHLOROPHENYL) 1 OXO 3 (PHENYLAMINO) 3 THIOXOPROPAN 2 YL] 1H 1,2,4 TRIAZOLE 3 CARBOXYLIC ACID; 1 [1 (2,4 DIFLUOROPHENYL) 1 OXO 3 (PHENYLAMINO) 3 THIOXOPROPAN 2 YL] 1H 1,2,4 TRIAZOLE 3 CARBOXYLIC; 1 [1 (3,4 DICHLOROPHENYL) 1 OXO 3 (PHENYLAMINO) 3 THIOXOPROPAN 2 YL] 1H 1,2,4 TRIAZOLE 3 CARBOXYLIC ACID; 1 [1 (4 FLUOROPHENYL) 1 OXO 3 (PHENYLAMINO) 3 THIOXOPROPAN 2 YL] 1H 1,2,4 TRIAZOLE 3 CARBOXYLIC ACID; 1 [1 (4 METHOXYPHENYL) 1 OXO 3 (PHENYLAMINO) 3 THIOXOPROPAN 2 YL] 1H 1,2,4 TRIAZOLE 3 CARBOXYLIC ACID; 1 [1 OXO 1 PHENYL 3 (PHENYLAMINO) 3 THIOXOPROPAN 2 YL] 1H 1,2,4 TRIAZOLE 3 CARBOXYLIC ACID; 2 (1H BENZO[D][1,2,3]TRIAZOL 1 YL) 3 (4 CHLOROPHENYL) 3 OXO N PHENYLPROPANETHIOAMIDE; 2 (1H BENZO[D][1,2,3]TRIAZOL 1 YL) 3 (4 METHOXYPHENYL) 3 OXO N PHENYLPROPANETHIOAMIDE; 2 (1H BENZO[D][1,2,3]TRIAZOL 1 YL) 3 (BIPHENYL 4 YL) 3 OXO N PHENYLPROPANETHIOAMIDE; 2 (1H BENZO[D][1,2,3]TRIAZOL 1 YL) 3 OXO N PHENYL 3 (4 TOLYL) PROPANETHIOAMIDE; 2 (1H BENZO[D][1,2,3]TRIAZOL 1 YL) 3 OXO N,3 DIPHENYLPROPANETHIOAMIDE; 3 (2 FLUORO 4 METHYLPHENYL) 3 OXO N PHENYL 2 (1H 1,2,4 TRIAZOL 1 YL)PROPANETHIOAMIDE; 3 (2 FLUORO 5 METHYLPHENYL) 3 OXO N PHENYL 2 (1H 1,2,4 TRIAZOL 1 YL)PROPANETHIOAMIDE; 3 (3,4 DICHLOROPHENYL) 3 OXO N PHENYL 2 (1H 1,2,4 TRIAZOL 1 YL)PROPANETHIOAMIDE; 3 (4 METHOXYPHENYL) 3 OXO N PHENYL 2 (1H 1,2,4 TRIAZOL 1 YL)PROPANETHIOAMIDE; 3 (BIPHENYL 4 YL) 3 OXO N PHENYL 2 (1H 1,2,4 TRIAZOL 1 YL)PROPANETHIOAMIDE; ANTIFUNGAL AGENT; THIOAMIDE; TRIAZOLE DERIVATIVE; UNCLASSIFIED DRUG;

ANTIFUNGAL ACTIVITY; ARTICLE; CORRELATION ANALYSIS; DENSITY FUNCTIONAL THEORY; DRUG DESIGN; DRUG STRUCTURE; DRUG SYNTHESIS; INFRARED SPECTROSCOPY; LINEAR REGRESSION ANALYSIS; MASS SPECTROMETRY; PROTON NUCLEAR MAGNETIC RESONANCE; QUANTITATIVE ANALYSIS; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

ANTIFUNGAL AGENTS; MAGNETIC RESONANCE SPECTROSCOPY; MASS SPECTROMETRY; MODELS, MOLECULAR; MODELS, STATISTICAL; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SPECTROPHOTOMETRY, INFRARED; THIOAMIDES; TRIAZOLES;

EID: 33748743441     PISSN: 09680896     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmc.2006.06.065     Document Type: Article

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