Three-Dimensional Pharmacophore Design and Biochemical Screening Identifies Substituted 1,2,4-Triazoles as Inhibitors of the AnnexinA2-S100A10 Protein Interaction

ChemMedChem

Volumn 7, Issue 8, 2012, Pages 1435-1446

  Reddy, Tummala R K ^a,b   Li, Chan ^a   Fischer, Peter M ^a   Dekker, Lodewijk V ^a  

^a UNIVERSITY OF NOTTINGHAM   (United Kingdom)

^b UNIVERSITY OF HERTFORDSHIRE   (United Kingdom)

Author keywords

Drug design; Pharmacophores; Protein protein interactions; Structure activity relationships; Virtual screening

Indexed keywords

(4 METHOXYPHENYLAMINO)ACETIC ACID HYDRAZIDE; 2 (4 PARA TOLYL 5 O TOLYLOXYMETHYL 4H[1,2,4]TRIAZOL 3 YLSULFANYL)ACETAMIDE; 2 (4 PHENYL 5 O TOLYLOXYMETHYL H[1,2,4]TRIAZOL 3 YLSULFANYL)ACETAMIDE; 2 [4 (2 CHLOROPHENYL) 5 O TOLYLOXYMETHYL 4H[1,2,4]TRIAZOL 3 YLSULFANYL]ACETAMIDE; 2 [4 (2 ETHYLPHENYL) 5 [(4 METHOXYPHENYLAMINO)METHYL] 4H[1,2,4]TRIAZOL 3 YLSULFANYL]ACETAMIDE; 2 [4 (2 ETHYLPHENYL) 5 O TOLYLOXYMETHYL 4H[1,2,4]TRIAZOL 3 YLSULFANYL]ACETAMIDE; 2 [4 (2 METHOXYETHYL) 5 O TOLYLOXYMETHYL 4H[1,2,4]TRIAZOL 3 YLSULFANYL]ACETAMIDE; 2 [4 (4 CHLOROPHENYL) 5 (PARA TOLYLAMINOMETHYL) 4H[1,2,4]TRIAZOL 3 YLSULFANYL]ACETAMIDE; 2 [4 (4 CHLOROPHENYL) 5 O TOLYLOXYMETHYL 4H[1,2,4]TRIAZOL 3 YLSULFANYL]ACETAMIDE; 2 [4 (4 ISOPROPYLPHENYL) 5 O TOLYLOXYMETHYL 4H[1,2,4]TRIAZOL 3 YLSULFANYL]ACETAMIDE; 2 [4 (4 METHOXYPHENYL) 5 O TOLYLOXYMETHYL 4H[1,2,4]TRIAZOL 3 YLSULFANYL]ACETAMIDE; 2 [5 [(4 METHOXYPHENYLAMINO)METHYL] 4 PARA TOLYL 4H[1,2,4]TRIAZOL 3 YLSULFANYL]ACETAMIDE; 4 (2 CHLOROPHENYL) 5 O TOLYLOXYMETHYL 4H[1,2,4]TRIAZOLE 3 THIOL; 4 (2 ETHYLPHENYL) 5 [(4 METHOXYPHENYLAMINO)METHYL] 4H[1,2,4]TRIAZOLE 3 THIOL; 4 (2 ETHYLPHENYL) 5 O TOLYLOXYMETHYL 4H[1,2,4]TRIAZOLE 3 THIOL; 4 (2 METHOXYETHYL) 5 O TOLYLOXYMETHYL 4H[1,2,4]TRIAZOLE 3 THIOL; 4 (4 CHLOROPHENYL) 5 (PARA TOLYLAMINOMETHYL) 4H[1,2,4]TRIAZOLE 3 THIOL; 4 (4 CHLOROPHENYL) 5 O TOLYLOXYMETHYL 4H[1,2,4]TRIAZOLE 3 THIOL; 4 (4 ISOPROPYLPHENYL) 5 O TOLYLOXYMETHYL 4H[1,2,4]TRIAZOLE 3 THIOL; 4 (4 METHOXYPHENYL) 5 O TOLYLOXYMETHYL 4H[1,2,4]TRIAZOLE 3 THIOL; 4 PARA TOLYL 5 O TOLYLOXYMETHYL 4H[1,2,4]TRIAZOLE 3 THIOL; 4 PHENYL 5 O TOLYLOXYMETHYL 4H[1,2,4]TRIAZOLE 3 THIOL; 5 [(4 METHOXYPHENYLAMINO)METHYL] 4 P TOLYL 4H[1,2,4]TRIAZOLE 3 THIOL; LIPOCORTIN 2; O TOLYLOXYACETIC ACID HYDRAZIDE; PARA TOLYLAMINOACETIC ACID HYDRAZIDE; PEPTIDES AND PROTEINS; S100A10 PROTEIN; TRIAZOLE DERIVATIVE; UNCLASSIFIED DRUG; UNINDEXED DRUG;

ARTICLE; CHEMICAL PHENOMENA; DRUG DESIGN; DRUG PROTEIN BINDING; DRUG SCREENING; HYDROGEN BOND; IC 50; PHARMACOPHORE; PRIORITY JOURNAL; PROTEIN PROTEIN INTERACTION; STRUCTURE ACTIVITY RELATION; X RAY CRYSTALLOGRAPHY;

ANNEXIN A2; BINDING SITES; COMPUTER SIMULATION; DATABASES, CHEMICAL; DRUG DESIGN; HYDROGEN BONDING; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; PROTEIN INTERACTION MAPS; PROTEIN STRUCTURE, TERTIARY; S100 PROTEINS; SOFTWARE; STRUCTURE-ACTIVITY RELATIONSHIP; TRIAZOLES;

EID: 84864413157     PISSN: 18607179     EISSN: 18607187     Source Type: Journal    
DOI: 10.1002/cmdc.201200107     Document Type: Article

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