2D MI-DRAGON: A new predictor for protein-ligands interactions and theoretic-experimental studies of US FDA drug-target network, oxoisoaporphine inhibitors for MAO-A and human parasite proteins

European Journal of Medicinal Chemistry

Volumn 46, Issue 12, 2011, Pages 5838-5851

  Prado Prado, Francisco ^a   García Mera, Xerardo ^a   Escobar, Manuel ^a   Sobarzo Sánchez, Eduardo ^b   Yañez, Matilde ^c   Riera Fernandez, Pablo ^c   González Díaz, Humberto ^c  

^a UNIVERSITY OF SANTIAGO DE COMPOSTELA   (Spain)

^b Faculty of Pharmacy   (Spain)

^c Department of Pharmacology   (Spain)

Author keywords

Drug Protein interaction complex networks; MAO A inhibitors; Markov model; Multi target QSAR; Protein structure networks

Indexed keywords

ANTIPARASITIC AGENT; APORPHINE DERIVATIVE; CLORGYLINE; HYDROGEN PEROXIDE; IPRONIAZID; MOCLOBEMIDE; MONOAMINE OXIDASE A INHIBITOR; OXOISOAPORPHINE DERIVATIVE; SELEGILINE; TYRAMINE; UNCLASSIFIED DRUG;

ANIMAL CELL; ARTICLE; ARTIFICIAL NEURAL NETWORK; CONCENTRATION RESPONSE; CONTROLLED STUDY; DATA ANALYSIS SOFTWARE; DRUG INTERACTION; DRUG SELECTIVITY; DRUG STRUCTURE; DRUG TARGETING; ENZYME INHIBITION; FOOD AND DRUG ADMINISTRATION; HIDDEN MARKOV MODEL; IC 50; LIGAND BINDING; MICHAELIS CONSTANT; NONHUMAN; PLASMODIUM FALCIPARUM; PREDICTOR VARIABLE; PROTEIN INTERACTION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; UNITED STATES; VALIDATION PROCESS;

ANTIPROTOZOAL AGENTS; APORPHINES; DATABASES, FACTUAL; HUMANS; LIGANDS; MALARIA, FALCIPARUM; MARKOV CHAINS; MODELS, BIOLOGICAL; MONOAMINE OXIDASE; MONOAMINE OXIDASE INHIBITORS; PLASMODIUM FALCIPARUM; PROTOZOAN PROTEINS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SOFTWARE; UNITED STATES;

EID: 80955126021     PISSN: 02235234     EISSN: 17683254     Source Type: Journal    
DOI: 10.1016/j.ejmech.2011.09.045     Document Type: Article

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