Novel coumarin-based tyrosinase inhibitors discovered by OECD principles-validated QSAR approach from an enlarged, balanced database

Molecular Diversity

Volumn 15, Issue 2, 2011, Pages 507-520

  Le Thi thu, Huong ^a   Casañola Martín, Gerardo M ^a,b   Marrero Ponce, Yovani ^a,b   Rescigno, Antonio ^c   Saso, Luciano ^d   Parmar, Virinder S ^e   Torrens, Francisco ^b   Abad, Concepción ^b  

^a CENTRAL UNIVERSITY OF LAS VILLAS   (Cuba)

^b UNIVERSITY OF VALENCIA   (Spain)

^c UNIVERSITY OF CAGLIARI   (Italy)

^d SAPIENZA UNIVERSITY OF ROME   (Italy)

^e UNIVERSITY OF DELHI   (India)

Author keywords

Atom based bilinear index; Coumarin; In silico identification; In vitro corroboration; Linear Discriminant Analysis; OECD principle; QSAR model; TOMOCOMD CARDD software; Tyrosinase inhibitor

Indexed keywords

COUMARIN; MONOPHENOL MONOOXYGENASE; OXYGENASE INHIBITOR; UMBELLIFERONE DERIVATIVE; COUMARIN DERIVATIVE; ENZYME INHIBITOR; LIGAND;

ARTICLE; IN VITRO STUDY; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SPECTROPHOTOMETRY; ALGORITHM; CHEMISTRY; COMPUTER AIDED DESIGN; COMPUTER SIMULATION; DRUG ANTAGONISM; DRUG DESIGN; DRUG DEVELOPMENT; FACTUAL DATABASE; METHODOLOGY; REPRODUCIBILITY; THEORETICAL MODEL;

ALGORITHMS; COMPUTER SIMULATION; COMPUTER-AIDED DESIGN; COUMARINS; DATABASES, FACTUAL; DRUG DESIGN; DRUG DISCOVERY; ENZYME INHIBITORS; LIGANDS; MODELS, THEORETICAL; MONOPHENOL MONOOXYGENASE; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; REPRODUCIBILITY OF RESULTS; RESEARCH DESIGN;

EID: 80051564796     PISSN: 13811991     EISSN: 1573501X     Source Type: Journal    
DOI: 10.1007/s11030-010-9274-1     Document Type: Article

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