Atom- and bond-based 2D TOMOCOMD-CARDD approach and ligand-based virtual screening for the drug discovery of new tyrosinase inhibitors

Journal of Biomolecular Screening

Volumn 13, Issue 10, 2008, Pages 1014-1024

  Casañola Martín, Gerardo M ^a,b   Marrero Ponce, Yovani ^a,b   Tareq Hassan Khan, Mahmud ^c,d   Torrens, Francisco ^b   Pérez Giménez, Facundo ^b   Rescigno, Antonio ^e  

^a CENTRAL UNIVERSITY OF LAS VILLAS   (Cuba)

^b UNIVERSITY OF VALENCIA   (Spain)

^c UNIVERSITY OF SCIENCE AND TECHNOLOGY CHITTAGONG   (Bangladesh)

^d UNIVERSITY OF TROMSØ   (Norway)

^e Dipartimento di Scienze e Tecnologie Biomediche   (Italy)

Author keywords

Dicoumarin; LDA based QSAR model; Ligand based virtual screening; TOMOCOMD CARDD descriptor; Tyrosinase inhibitor compound

Indexed keywords

DICOUMAROL DERIVATIVE; KOJIC ACID; LIGAND; MONOPHENOL MONOOXYGENASE;

ACCURACY; ANALYTIC METHOD; ARTICLE; ATOM; CORRELATION COEFFICIENT; DATA BASE; DISCRIMINANT ANALYSIS; ENZYME ACTIVITY; EXPERIMENTAL STUDY; IC 50; MUSHROOM; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SCREENING; THEORETICAL STUDY; TRAINING; VALIDATION STUDY;

CLUSTER ANALYSIS; COMPUTATIONAL BIOLOGY; DICUMAROL; DISCRIMINANT ANALYSIS; DRUG DISCOVERY; LIGANDS; PEPTIDES; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; REPRODUCIBILITY OF RESULTS; SMALL MOLECULE LIBRARIES;

BASIDIOMYCOTA;

EID: 58149389321     PISSN: 10870571     EISSN: 1552454X     Source Type: Journal    
DOI: 10.1177/1087057108326078     Document Type: Article

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