Design, synthesis, and docking studies of new 1,3,4-thiadiazole-2-thione derivatives with carbonic anhydrase inhibitory activity

Bioorganic and Medicinal Chemistry

Volumn 15, Issue 22, 2007, Pages 6975-6984

  Abdel Hamid, Mohammed K ^a   Abdel Hafez, Atef A ^a   El Koussi, Nawal A ^a   Mahfouz, Nadia M ^a   Innocenti, Alessio ^b   Supuran, Claudiu T ^b  

^a Assiut University   (Egypt)

^b UNIVERSITY OF FLORENCE   (Italy)

Author keywords

1,3,4 Thiadiazole; Carbonic anhydrase; Docking; Molecular Operating Environment (MOE)

Indexed keywords

1,3,4 THIADIAZOLE DERIVATIVE; 4 (4,5 DIHYDRO 5 THIOXO 1,3,4 THIADIAZOL 2 YL) 1 (5 NITRO 2 OXOINDOLIN 3 YLIDENE)SEMICARBAZIDE; 4 (4,5 DIHYDRO 5 THIOXO 1,3,4 THIADIAZOL 2 YL) 1 (ALPHA PHENYLMETHYLENE)SEMICARBAZIDE; 4 (4,5 DIHYDRO 5 THIOXO 1,3,4 THIADIAZOL 2 YL) 1 [ALPHA (2 CHLOROPHENYL)METHYLENE]SEMICARBAZIDE; 4 (4,5 DIHYDRO 5 THIOXO 1,3,4 THIADIAZOL 2 YL) 1 [ALPHA (2 NITROPHENYL)METHYLENE]SEMICARBAZIDE; 4 (4,5 DIHYDRO 5 THIOXO 1,3,4 THIADIAZOL 2 YL) 1 [ALPHA (3 BROMOPHENYL)METHYLENE]SEMICARBAZIDE; 4 (4,5 DIHYDRO 5 THIOXO 1,3,4 THIADIAZOL 2 YL) 1 [ALPHA (3 METHOXYPHENYL)METHYLENE]SEMICARBAZIDE; 4 (4,5 DIHYDRO 5 THIOXO 1,3,4 THIADIAZOL 2 YL) 1 [ALPHA (3 PYRIDYL)METHYLENE]SEMICARBAZIDE; 4 (4,5 DIHYDRO 5 THIOXO 1,3,4 THIADIAZOL 2 YL) 1 [ALPHA (4 BROMOPHENYL) ALPHA METHYLMETHYLENE]SEMICARBAZIDE; 4 (4,5 DIHYDRO 5 THIOXO 1,3,4 THIADIAZOL 2 YL) 1 [ALPHA (4 BROMOPHENYL)METHYLENE]SEMICARBAZIDE; 4 (4,5 DIHYDRO 5 THIOXO 1,3,4 THIADIAZOL 2 YL) 1 [ALPHA (4 CHLOROPHENYL) ALPHA METHYLMETHYLENE]SEMICARBAZIDE; 4 (4,5 DIHYDRO 5 THIOXO 1,3,4 THIADIAZOL 2 YL) 1 [ALPHA (4 CHLOROPHENYL)METHYLENE]SEMICARBAZIDE; 4 (4,5 DIHYDRO 5 THIOXO 1,3,4 THIADIAZOL 2 YL) 1 [ALPHA (4 FLUOROPHENYL)METHYLENE]SEMICARBAZIDE; 4 (4,5 DIHYDRO 5 THIOXO 1,3,4 THIADIAZOL 2 YL) 1 [ALPHA (4 HYDROXY 3 METHOXYPHENYL)METHYLENE]SEMICARBAZIDE; 4 (4,5 DIHYDRO 5 THIOXO 1,3,4 THIADIAZOL 2 YL) 1 [ALPHA (4 HYDROXYPHENYL) ALPHA METHYLMETHYLENE]SEMICARBAZIDE; 4 (4,5 DIHYDRO 5 THIOXO 1,3,4 THIADIAZOL 2 YL) 1 [ALPHA (4 HYDROXYPHENYL)METHYLENE]SEMICARBAZIDE; 4 (4,5 DIHYDRO 5 THIOXO 1,3,4 THIADIAZOL 2 YL) 1 [ALPHA (4 METHOXYPHENYL)METHYLENE]SEMICARBAZIDE; 4 (4,5 DIHYDRO 5 THIOXO 1,3,4 THIADIAZOL 2 YL) 1 [ALPHA (4 N,N DIMETHYLAMINOPHENYL)METHYLENE]SEMICARBAZIDE; 4 (4,5 DIHYDRO 5 THIOXO 1,3,4 THIADIAZOL 2 YL) 1 [ALPHA (4 NITROPHENYL)METHYLENE]SEMICARBAZIDE; 4 (4,5 DIHYDRO 5 THIOXO 1,3,4 THIADIAZOL 2 YL) 1 [ALPHA METHYL ALPHA (4 METHOXYPHENYL)METHYLENE]SEMICARBAZIDE; 4 (4,5 DIHYDRO 5 THIOXO 1,3,4 THIADIAZOL 2 YL) 1 [ALPHA METHYL ALPHA (4 METHYLPHENYL)METHYLENE]SEMICARBAZIDE; 4 (4,5 DIHYDRO 5 THIOXO 1,3,4 THIADIAZOL 2 YL) 1 [ALPHA METHYL ALPHA (4 NITROPHENYL)METHYLENE]SEMICARBAZIDE; 4 (4,5 DIHYDRO 5 THIOXO 1,3,4 THIADIAZOL 2 YL) 1 [ALPHA METHYL ALPHA PHENYLMETHYLENE]SEMICARBAZIDE; 4 (4,5 DIHYDRO 5 THIOXO 1,3,4 THIADIAZOL 2 YL) 1 [ALPHA,ALPHA DIPHENYLMETHYLENE]SEMICARBAZIDE; CARBONATE DEHYDRATASE; CARBONATE DEHYDRATASE I; CARBONATE DEHYDRATASE II; CARBONATE DEHYDRATASE IX; ISOENZYME; UNCLASSIFIED DRUG; UNINDEXED DRUG;

ANTINEOPLASTIC ACTIVITY; ARTICLE; BINDING AFFINITY; DRUG ACTIVITY; DRUG DESIGN; DRUG DETERMINATION; DRUG PROTEIN BINDING; DRUG SYNTHESIS; ENZYME ACTIVE SITE; ENZYME INHIBITION; PREDICTION;

CARBONIC ANHYDRASE I; CARBONIC ANHYDRASE II; CARBONIC ANHYDRASE INHIBITORS; CARBONIC ANHYDRASE IV; CRYSTALLOGRAPHY, X-RAY; DRUG DESIGN; HUMANS; LIGANDS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PROTEIN STRUCTURE, TERTIARY; STRUCTURE-ACTIVITY RELATIONSHIP; THIADIAZOLES; THIONES;

EID: 34648840812     PISSN: 09680896     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmc.2007.07.044     Document Type: Article

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