Computational modeling and biological validation of novel non-steroidal ligands for the cholesterol recognition/interaction amino acid consensus (CRAC) motif of the mitochondrial translocator protein (TSPO)

Pharmacological Research

Volumn 99, Issue , 2015, Pages 393-403

  Midzak, Andrew S ^a   Akula, Nagaraju ^a   Rone, Malena B ^a   Papadopoulos, Vassilios ^a,b  

^a RESEARCH INSTITUTE OF THE MCGILL UNIVERSITY HEALTH CENTRE   (Canada)

^b MCGILL UNIVERSITY   (Canada)

Author keywords

Apoptosis; Cholesterol; CRAC; Steroidogenesis; TSPO

Indexed keywords

1 (1,3 BENZODIOXOL 5 YL) 3 [4 [4 [[3 (1,3 BENZODIOXOL 5 YL) 3 OXO 1 PROPENYL]AMINO] 3 METHOXYBENZYL] 2 METHOXYANILINO] 2 PROPEN 1 ONE; 1 (3 METHYLPHENYL) 2,5 DIOXO 3 PYRROLIDINYL N' PHENYLIMIDOTHIOCARBAMATE; 1 [4 (4 CHLOROPHENYL)PIPERAZIN 1 YL] 3 (3,6 DIBROMO 9H CARBAZOL 9 YL)PROPAN 2 OL; 2 FURYLMETHYL9 ETHYL 6 FLUORO 2 METHYL 7 (4 MORPHOLINYL) 3A,4,9,9A TETRAHYDROFURO[2,3 B]QUINOXALINE 3 CARBOXYLATE; 4 (1 BENZOFURAN 2 YLCARBONYL) 1 [5 (BENZYLSULFANYL) 1,3,4 THIADIAZOL 2 YL] 3 HYDROXY 5 (4 HYDROXYPHENYL) 1,5 DIHYDRO 2H PYRROL 2 ONE; 4 (1 BENZOFURAN 2 YLCARBONYL) 1 [5 (BENZYLSULFANYL) 1,3,4 THIADIAZOL 2 YL] 5 (2 FLUOROPHENYL) 3 HYDROXY 1,5 DIHYDRO 2H PYRROL 2 ONE; BENZYL 1 BENZYL 2 OXO 2 [[2 (4 PROPYLPHENOXY)ETHYL]AMINO]ETHYLCARBAMATE; CARRIER PROTEIN; CHEMICAL COMPOUND; CHOLESTEROL; ISOBUTYL 4 (2 FLUOROPHENYL) 2 METHYL 5 OXO 7 (2 THIENYL) 1,4,5,6,7,8 HEXAHYDRO 3 QUINOLINECARBOXYLATE; LIGAND; MITOCHONDRIAL TRANSLOCATOR PROTEIN; N (1,3 BENZODIOXOL 5 YL) 3 CHLORO 5 (3,4 DIMETHOXYPHENYL) 7 (TRIFLUOROMETHYL)PYRAZOLO[1,5 A]PYRIMIDINE 2 CARBOXAMIDE; N (5 ETHYL 1,3,4 THIADIAZOL 2 YL) 1H PYRROLO[4,5 H]QUINOLINE 2 CARBOXAMIDE; N [(4 ALLYL 5 [[2 (3,5 DICHLOROANILINO) 2 OXOETHYL]SULFANYL] 4H 1,2,4 TRIAZOL 3 YL)METHYL] 2 FLUOROBENZAMIDE; N [2 [4 ETHYL 5 [[2 OXO 2 (4 TOLUIDINO)ETHYL]SULFANYL] 4H 1,2,4 TRIAZOL 3 YL]ETHYL] 4 METHYLBENZAMIDE; N [2 [5 [[2 (2 CHLOROANILINO) 2 OXOETHYL]SULFANYL] 4 ETHYL 4H 1,2,4 TRIAZOL 3 YL]ETHYL] 2 THIOPHENECARBOXAMIDE; N [2 [5 [[2 (2,4 DICHLOROANILINO) 2 OXOETHYL]SULFANYL] 4 ETHYL 4H 1,2,4 TRIAZOL 3 YL]ETHYL] 2 THIOPHENECARBOXAMIDE; N [3 (6 BENZOYL 1H BENZIMIDAZOL 2 YL) PHENYL] 2 PHENOXY PROPIONAMIDE; N,N' BIS(3 CYANO 5,6 DIHYDRO 4H CYCLOPENTA[B]THIOPHEN 2 YL)NONANEDIAMIDE; UNCLASSIFIED DRUG; AMINO ACID; MITOCHONDRIAL PROTEIN; STEROID;

ANIMAL CELL; APOPTOSIS; ARTICLE; BINDING AFFINITY; BINDING SITE; CELL CULTURE; COMPUTER MODEL; CONTROLLED STUDY; HUMAN; HUMAN CELL; MOLECULAR DOCKING; MOLECULAR MODEL; MOLECULAR RECOGNITION; MOUSE; NONHUMAN; NUCLEIC ACID STRUCTURE; OUTER MEMBRANE; PRIORITY JOURNAL; PROTEIN MOTIF; RAT; TESTOSTERONE SYNTHESIS; VALIDATION STUDY; ANIMAL; CHEMICAL STRUCTURE; CONSENSUS; METABOLISM; MITOCHONDRIAL MEMBRANE; MITOCHONDRION; PHYSIOLOGY; PROTEIN TERTIARY STRUCTURE; PROTEIN TRANSPORT; TRANSPORT AT THE CELLULAR LEVEL;

AMINO ACIDS; ANIMALS; BINDING SITES; BIOLOGICAL TRANSPORT; CHOLESTEROL; CONSENSUS; LIGANDS; MICE; MITOCHONDRIA; MITOCHONDRIAL MEMBRANES; MITOCHONDRIAL PROTEINS; MODELS, MOLECULAR; PROTEIN STRUCTURE, TERTIARY; PROTEIN TRANSPORT; RATS; STEROIDS;

EID: 84940721792     PISSN: 10436618     EISSN: 10961186     Source Type: Journal    
DOI: 10.1016/j.phrs.2015.03.023     Document Type: Article

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