Novel inhibitors of human histone deacetylase (HDAC) identified by QSAR modeling of known inhibitors, virtual screening, and experimental validation

Journal of Chemical Information and Modeling

Volumn 49, Issue 2, 2009, Pages 461-476

  Tang, Hao ^a,b   Wang, Xiang S ^a   Huang, Xi Ping ^b   Roth, Bryan L ^b   Butler, Kyle V ^c   Kozikowski, Alan P ^c   Jung, Mira ^d   Tropsha, Alexander ^a,b  

^a UNIVERSITY OF NORTH CAROLINA   (United States)

^b UNIVERSITY OF NORTH CAROLINA SCHOOL OF MEDICINE   (United States)

^c UNIVERSITY OF ILLINOIS AT CHICAGO   (United States)

^d GEORGETOWN UNIVERSITY MEDICAL CENTER   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CELL DEATH; CELL PROLIFERATION; DATABASE SYSTEMS; DIAGNOSIS; DIGITAL LIBRARIES; DISEASES; MOLECULAR GRAPHICS; NEAREST NEIGHBOR SEARCH; PREDICTIVE ANALYTICS; STATISTICAL TESTS; SUPPORT VECTOR MACHINES;

BIOACTIVE COMPOUNDS; CHEMICAL DESCRIPTORS; COMPOUND COLLECTIONS; EXPERIMENTAL VALIDATIONS; HISTONE DEACETYLASES; K NEAREST NEIGHBOR (KNN); QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS; SELECTIVE INHIBITORS;

COMPUTATIONAL CHEMISTRY;

ENZYME INHIBITOR; HISTONE DEACETYLASE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; DRUG ANTAGONISM; HUMAN; QUANTITATIVE STRUCTURE ACTIVITY RELATION; VALIDATION STUDY;

ENZYME INHIBITORS; HISTONE DEACETYLASES; HUMANS; MODELS, MOLECULAR; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 65249163549     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci800366f     Document Type: Article

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