Using entropy of drug and protein graphs to predict FDA drug-target network: Theoretic-experimental study of MAO inhibitors and hemoglobin peptides from Fasciola hepatica

European Journal of Medicinal Chemistry

Volumn 46, Issue 4, 2011, Pages 1074-1094

  Prado Prado, Francisco ^a   García Mera, Xerardo ^a   Abeijón, Paula ^a   Alonso, Nerea ^a   Caamaño, Olga ^a   Yáñez, Matilde ^a   Gárate, Teresa ^b   Mezo, Mercedes ^c   González Warleta, Marta ^c   Muiño, Laura ^d   Ubeira, Florencio M ^d   González Díaz, Humberto ^d  

^a Department of Pharmacology   (Spain)

^b INSTITUTO DE SALUD CARLOS III   (Spain)

^c Centro de Investigaciones Agrarias (INGACAL)   (Spain)

^d Department of Applied Didactics   (Spain)

Author keywords

Drug Protein interaction complex networks; Fasciola hepatica proteome; MAO enzymes; Markov model; Multi target QSAR; Protein structure networks; Rasagiline derivatives

Indexed keywords

2,2,2 TRIFLUORO N (5,6 DIHYDRO 6 OXO 4H CYCLOPENTA[B]THIOPHEN 4 YL)ACETAMIDE; 2,2,2 TRIFLUORO N (CIS 5,6 DIHYDRO 6 HYDROXY 4H CYCLOPENTA[B]THIOPHEN 4 YL)ACETAMIDE; 2,2,2 TRIFLUORO N (TRANS 5,6 DIHYDRO 6 HYDROXY 4H CYCLOPENTA[B]THIOPHEN 4 YL)ACETAMIDE; 3 AMINO 3 (THIOPHEN 3 YL)PROPANOIC ACID; AMINE OXIDASE (FLAVIN CONTAINING) ISOENZYME A; AMINE OXIDASE (FLAVIN CONTAINING) ISOENZYME B; ANTIPARASITIC AGENT; ATORVASTATIN; CIS 4 [(DIPROP 2 YNYL)AMINO] 5,6 DIHYDRO 4H CYCLOPENTA[B]THIOPHEN 6 YL ACETATE; CIS 4 [(DIPROP 2 YNYL)AMINO] 5,6 DIHYDRO 4H CYCLOPENTA[B]THIOPHEN 6 YL BENZOATE; CIS 4 AMINO 5,6 DIHYDRO 4H CYCLOPENTA[B]THIOPHEN 6 OL; CIS 5,6 DIHYDRO 4 (PROP 2 YNYLAMINO) 4H CYCLOPENTA[B]THIOPHEN 6 OL; DIGOXIN; ETRETIN; HEMOGLOBIN; LEVAMISOLE; MEGESTROL; MOEXIPRIL; MONOAMINE OXIDASE INHIBITOR; PEPTIDE DERIVATIVE; PROTEOME; RASAGILINE DERIVATIVE; SERTRALINE; TRANS 4 [(DIPROP 2 YNYL)AMINO] 5,6 DIHYDRO 4H CYCLOPENTA[B]THIOPHEN 6 YL ACETATE; TRANS 4 [(DIPROP 2 YNYL)AMINO] 5,6 DIHYDRO 4H CYCLOPENTA[B]THIOPHEN 6 YL BENZOATE; TRANS 4 AMINO 5,6 DIHYDRO 4H CYCLOPENTA[B]THIOPHEN 6 OL; TRANS 5,6 DIHYDRO 4 (DIPROP 2 YNYLAMINO) 4H CYCLOPENTA[B]THIOPHEN 6 OL; TRANS 5,6 DIHYDRO 4 (PROP 2 YNYLAMINO) 4H CYCLOPENTA[B]THIOPHEN 6 OL; UNCLASSIFIED DRUG; UNINDEXED DRUG; VINBLASTINE;

ARTICLE; ARTIFICIAL NEURAL NETWORK; BINDING AFFINITY; CLASSIFIER; CONTROLLED STUDY; DRUG DETERMINATION; DRUG PROTEIN BINDING; DRUG RECEPTOR BINDING; DRUG SYNTHESIS; DRUG TARGETING; ENTROPY; EXPERIMENTAL STUDY; FASCIOLA HEPATICA; FOOD AND DRUG ADMINISTRATION; MACHINE LEARNING; NONHUMAN; NUCLEOTIDE SEQUENCE; PARASITE IDENTIFICATION; PREDICTION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SENSITIVITY AND SPECIFICITY; THEORETICAL STUDY; VALIDATION PROCESS;

ANIMALS; ARTIFICIAL INTELLIGENCE; DISCRIMINANT ANALYSIS; ENTROPY; FASCIOLA HEPATICA; HEMOGLOBINS; HUMANS; MARKOV CHAINS; MODELS, MOLECULAR; MONOAMINE OXIDASE; MONOAMINE OXIDASE INHIBITORS; PEPTIDE FRAGMENTS; PROTEIN BINDING; PROTEIN CONFORMATION; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; REPRODUCIBILITY OF RESULTS; UNITED STATES; UNITED STATES FOOD AND DRUG ADMINISTRATION;

EID: 79952282850     PISSN: 02235234     EISSN: 17683254     Source Type: Journal    
DOI: 10.1016/j.ejmech.2011.01.023     Document Type: Article

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