Bond-based 2D Quadratic fingerprints in QSAR studies: Virtual and in vitro tyrosinase inhibitory activity elucidation

Chemical Biology and Drug Design

Volumn 76, Issue 6, 2010, Pages 538-545

  Casañola Martin, Gerardo M ^a,b   Marrero Ponce, Yovani ^a,b   Khan, Mahmud T H ^c   Khan, Sher B ^d   Torrens, Francisco ^a   Pérez Jiménez, Facundo ^a   Rescigno, Antonio ^e   Abad, Concepción ^a  

^a UNIVERSITY OF VALENCIA   (Spain)

^b CENTRAL UNIVERSITY OF LAS VILLAS   (Cuba)

^c Genøk Center for Biosafety   (Norway)

^d Yonsei University   (South Korea)

^e UNIVERSITY OF CAGLIARI   (Italy)

Author keywords

Bond based quadratic indices; LDA based QSAR model; Lignan; TOMOCOMD CARDD software; Tyrosinase inhibitor

Indexed keywords

CHALCONE DERIVATIVE; ENZYME INHIBITOR; KOJIC ACID; LIGNAN DERIVATIVE; MIMOSINE; PYRIDOXINE DERIVATIVE; STEROID; TRIPEPTIDE DERIVATIVE; TYROSINASE INHIBITOR; UNCLASSIFIED DRUG;

ACCURACY; ARTICLE; CHEMICAL BOND; COMPUTER MODEL; CONTROLLED STUDY; CORRELATION COEFFICIENT; DISCRIMINANT ANALYSIS; DRUG ACTIVITY; DRUG SCREENING; ENZYME INHIBITION; IN VITRO STUDY; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SKIN DISEASE; VALIDATION STUDY;

ALGORITHMS; COMPUTATIONAL BIOLOGY; DRUG DESIGN; ENZYME ACTIVATION; ENZYME INHIBITORS; MODELS, MOLECULAR; MONOPHENOL MONOOXYGENASE; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 78349252722     PISSN: 17470277     EISSN: 17470285     Source Type: Journal    
DOI: 10.1111/j.1747-0285.2010.01032.x     Document Type: Article

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