Antiprotozoan lead discovery by aligning dry and wet screening: Prediction, synthesis, and biological assay of novel quinoxalinones

Bioorganic and Medicinal Chemistry

Volumn 22, Issue 5, 2014, Pages 1568-1585

  Martins Alho, Miriam A ^a   Marrero Ponce, Yovani ^b,c,d   Barigye, Stephen J ^b   Meneses Marcel, Alfredo ^b   Machado Tugores, Yanetsy ^b   Montero Torres, Alina ^b   Gómez Barrio, Alicia ^f   Nogal, Juan J ^f   García Sánchez, Rory N ^f,h   Vega, María Celeste ^f,g   Rolón, Miriam ^f   Martínez Fernández, Antonio R ^f   Escario, José A ^f   Pérez Giménez, Facundo ^d   Garcia Domenech, Ramón ^d   Rivera, Norma ^i,j   Mondragón, Ricardo ^i,j   Mondragón, Mónica ^i,j   Ibarra Velarde, Froylán ^k   Lopez Arencibia, Atteneri ^l   Martín Navarro, Carmen ^l   Lorenzo Morales, Jacob ^l   Cabrera Serra, Maria Gabriela ^l   Piñero, Jose ^l   Tytgat, Jan ^e   Chicharro, Roberto ^m   Arán, Vicente J ⁿ   more..

^a UNIVERSIDAD DE BUENOS AIRES   (Argentina)

^b CENTRAL UNIVERSITY OF LAS VILLAS   (Cuba)

^c UNIVERSIDAD DE CARTAGENA   (Colombia)

^d UNIVERSITY OF VALENCIA   (Spain)

^e UNIVERSITY OF LEUVEN   (Belgium)

^f UNIVERSIDAD COMPLUTENSE DE MADRID   (Spain)

^g Ctro Para el Desarrollo de la Invest Cientifica Fundacion Moises Bertoni Laboratorio Diaz Gill   (Paraguay)

^h UNIVERSIDAD NACIONAL DE LA AMAZONÍA PERUANA   (Peru)

ⁱ DEPARTAMENTO DE FÍSICA   (Mexico)

^j UNIVERSIDAD NACIONAL AUTÓNOMA DE MÉXICO   (Mexico)

^k UNIVERSIDAD NACIONAL AUTÓNOMA DE MÉXICO   (Mexico)

^l UNIVERSIDAD DE LA LAGUNA   (Spain)

^m INSTITUTO DE QUÍMICA ORGÁNICA GENERAL   (Spain)

ⁿ INSTITUTO DE QUÍMICA MÉDICA   (Spain)

more..

Author keywords

Antimalarial; Antiprotozoan database; Antitoxoplasma; Antitrichomonas; Antitrypanosomal; Classification model; Cytotoxicity; In silico study; In vitro assay; Leishmanicide; Machine learning based QSAR; Non stochastic and stochastic linear indices; TOMOCOMD CARDD software

Indexed keywords

1 METHYL 7 NITRO 4 (5 PIPERIDINOPENTYL) 3,4 DIHYDRO 1H QUINOXALIN 2 ONE HYDROBROMIDE; 1 METHYL 7 NITRO 4 (5 PYRROLIDINOPENTYL) 3,4 DIHYDRO 1H QUINOXALIN 2 ONE HYDROBROMIDE; 1 METHYL 7 NITRO 4 [5 (1,2,3,4 TETRAHYDROISOQUINOLIN 2 YL)PENTYL] 3,4 DIHYDRO 1H QUINOXALIN 2 ONE HYDROBROMIDE; 4 (5 AZEPANYLPENTYL) 1 METHYL 7 NITRO 3,4 DIHYDRO 1H QUINOXALIN 2 ONE HYDROBROMIDE; 4 (5 AZEPANYLPENTYL) 7 NITRO 3,4 DIHYDRO 1H QUINOXALIN 2 ONE HYDROBROMIDE; 4 [5 (DIMETHYLAMINO)PENTYL] 1 METHYL 7 NITRO 3,4 DIHYDRO 1H QUINOXALIN 2 ONE HYDROBROMIDE; 4 [5 (DIMETHYLAMINO)PENTYL] 7 NITRO 3,4 DIHYDRO 1H QUINOXALIN 2 ONE HYDROBROMIDE; 7 NITRO 4 (5 PIPERIDINOPENTYL) 3,4 DIHYDRO 1H QUINOXALIN 2 ONE HYDROBROMIDE; 7 NITRO 4 (5 PYRROLIDINOPENTYL) 3,4 DIHYDRO 1H QUINOXALIN 2 ONE HYDROBROMIDE; 7 NITRO 4 [5 (1,2,3,4 TETRAHYDROISOQUINOLIN 2 YL)PENTYL] 3,4 DIHYDRO 1H QUINOXALIN 2 ONE HYDROBROMIDE; ANTIPROTOZOAL AGENT; CHLOROQUINE; LIGAND; METRONIDAZOLE; NEW DRUG; NIFURTIMOX; ORGANIC COMPOUND; QUINOXALINONE DERIVATIVE; UNCLASSIFIED DRUG; QUINOXALINE DERIVATIVE;

ACCURACY; ANIMAL CELL; APICOMPLEXA; ARTICLE; CLASSIFICATION; CLUSTER ANALYSIS; COMBINATORIAL CHEMISTRY; CONCEPTUAL FRAMEWORK; CONTROLLED STUDY; CORRELATION COEFFICIENT; CYTOTOXICITY; DATA BASE; DISCRIMINANT ANALYSIS; DRUG ACTIVITY; DRUG APPROVAL; DRUG DESIGN; DRUG DETERMINATION; DRUG RESEARCH; DRUG SCREENING; FEASIBILITY STUDY; FLAGELLATE; HOST CELL; IN VITRO STUDY; LINEAR SYSTEM; MATHEMATICAL COMPUTING; MOLECULAR BIOLOGY; MOUSE; NONHUMAN; PREDICTION; PROTOZOAL INFECTION; STRUCTURE ACTIVITY RELATION; VALIDATION STUDY; VIRTUAL REALITY; CHEMICAL STRUCTURE; CHEMISTRY; CYCLIZATION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SYNTHESIS;

APICOMPLEXA; MASTIGOPHORA (FLAGELLATES); PROTOZOA; SPOROZOA;

ANTIPROTOZOAL AGENTS; CYCLIZATION; MOLECULAR STRUCTURE; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; QUINOXALINES;

EID: 84896737372     PISSN: 09680896     EISSN: 14643391     Source Type: Journal    
DOI: 10.1016/j.bmc.2014.01.036     Document Type: Article

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