Identification of novel molecular scaffolds for the design of MMP-13 inhibitors: A first round of lead optimization

European Journal of Medicinal Chemistry

Volumn 47, Issue 1, 2012, Pages 143-152

  La Pietra, Valeria ^a   Marinelli, Luciana ^a   Cosconati, Sandro ^b   Di Leva, Francesco Saverio ^c   Nuti, Elisa ^d   Santamaria, Salvatore ^d,e   Pugliesi, Isabella ^d   Morelli, Matteo ^d   Casalini, Francesca ^d   Rossello, Armando ^d   La Motta, Concettina ^d   Taliani, Sabrina ^d   Visse, Robert ^e   Nagase, Hideaki ^e   Da Settimo, Federico ^d   Novellino, Ettore ^a  

^a UNIVERSITY OF NAPLES FEDERICO II   (Italy)

^b SECOND UNIVERSITY OF NAPLES   (Italy)

^c ISTITUTO ITALIANO DI TECNOLOGIA   (Italy)

^d UNIVERSITY OF PISA   (Italy)

^e IMPERIAL COLLEGE LONDON   (United Kingdom)

Author keywords

Cancer; MMPs; Molecular docking; Osteoarthritis; Virtual screening

Indexed keywords

3 (2 BROMOACETYL) 6 CHLORO 2H CHROMEN 2 ONE; 3 (2 BROMOACETYL) 6 CHLORO 8 METHOXY 2H CHROMEN 2 ONE; 3 (2 BROMOACETYL) 6 METHOXY 2H CHROMEN 2 ONE; 3 (2 BROMOACETYL) 8 HYDROXY 2H CHROMEN 2 ONE; 3 (2 BROMOACETYL) 8 METHOXY 2H CHROMEN 2 ONE; 3 (2,3 DIHYDRO 3 PHENYL 2 THIOXO 1H IMIDAZOL 5 YL) 2H CHROMEN 2 ONE; 3 [2 (3 (HYDROXYCARBONYL)PHENYLAMINO)ACETYL] 6 METHOXY 2H CHROMEN 2 ONE; 3 [2 (3 ETHOXYCARBONYL)PHENYLAMINOACETYL] 2H CHROMEN 2 ONE; 3 [2 (3 HYDROXYCARBONYL)PHENYLAMINOACETYL] 8 METHOXY 2H CHROMEN 2 ONE; 3 [2 (PHENYLAMINO)ACETYL] 2H CHROMEN 2 ONE; 3 ACETYL 6 ALLYL 8 METHOXY 2H CHROMEN 2 ONE; 3 ACETYL 6 CHLORO 2H CHROMEN 2 ONE; 3 ACETYL 6 CHLORO 8 METHOXY 2H CHROMEN 2 ONE; 3 ACETYL 8 HYDROXY 2H CHROMEN 2 ONE; 6 [CHLORO 3 (2 (3 HYDROXYCARBONYL)PHENYLAMINO)ACETYL] 2H CHROMEN 2 ONE; 6 [CHLORO 3 (2 (3 HYDROXYCARBONYL)PHENYLAMINO)ACETYL] 8 METHOXY 2H CHROMEN 2 ONE; 6 ALLYL 3 (2 BROMOACETYL) 8 METHOXY 2H CHROMEN 2 ONE; 8 [HYDROXY 3 (2 (3 HYDROXYCARBONYL)PHENYLAMINO)ACETYL] 2H CHROMEN 2 ONE; METALLOPROTEINASE 13 INHIBITOR; METALLOPROTEINASE INHIBITOR; MOLECULAR SCAFFOLD; UNCLASSIFIED DRUG;

ARTICLE; CRYSTAL STRUCTURE; DRUG DESIGN; DRUG SCREENING; DRUG STRUCTURE; FACTUAL DATABASE; IC 50; IN VIVO STUDY; MOLECULAR DOCKING; PROCESS OPTIMIZATION; SCREENING;

CATALYTIC DOMAIN; CRYSTALLOGRAPHY, X-RAY; DRUG DESIGN; DRUG EVALUATION, PRECLINICAL; HUMANS; INHIBITORY CONCENTRATION 50; MATRIX METALLOPROTEINASE 13; PROTEASE INHIBITORS; USER-COMPUTER INTERFACE;

EID: 84855818765     PISSN: 02235234     EISSN: 17683254     Source Type: Journal    
DOI: 10.1016/j.ejmech.2011.10.035     Document Type: Article

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