A novel QSAR model for evaluating and predicting the inhibition activity of dipeptidyl aspartyl fluoromethylketones

QSAR and Combinatorial Science

Volumn 25, Issue 10, 2006, Pages 928-935

  Afantitis, Antreas ^a,b   Melagraki, Georgia ^a   Sarimveis, Haralambos ^a   Koutentis, Panayiotis A ^c   Markopoulos, John ^d   Igglessi Markopoulou, Olga ^a  

^a NATIONAL TECHNICAL UNIVERSITY OF ATHENS   (Greece)

^b NOVAMECHANICS LTD   (Cyprus)

^c UNIVERSITY OF CYPRUS   (Cyprus)

^d UNIVERSITY OF ATHENS   (Greece)

Author keywords

Apoptosis; Caspase 3; Molecular Modeling; QSAR

Indexed keywords

COMPUTATIONAL CHEMISTRY; LINEAR REGRESSION; MOLECULAR GRAPHICS;

CASPASE-3; CASPASES; DESCRIPTORS; INHIBITION ACTIVITY; INHIBITORY ACTIVITY; MULTIPLE LINEAR REGRESSION ANALYSES (MLRA); QSAR; QSAR MODEL; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP MODELING; STEPWISE REGRESSION METHOD;

CELL DEATH;

CASPASE 3; CASPASE 3 INHIBITOR; DIPEPTIDYLASPARTYLFLUOROMETHYLKETONE DERIVATIVE; KETONE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; CORRELATION COEFFICIENT; DRUG SCREENING; DRUG STRUCTURE; ENZYME INHIBITION; IC 50; PHYSICAL CHEMISTRY; PREDICTION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

EID: 33750352001     PISSN: 1611020X     EISSN: 16110218     Source Type: Journal    
DOI: 10.1002/qsar.200530208     Document Type: Article

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