A linear discrimination analysis based virtual screening of trichomonacidal lead-like compounds: Outcomes of in silico studies supported by experimental results

Bioorganic and Medicinal Chemistry Letters

Volumn 15, Issue 17, 2005, Pages 3838-3843

  Meneses Marcel, Alfredo ^a,b   Marrero Ponce, Yovani ^a   Machado Tugores, Yanetsy ^a   Montero Torres, Alina ^a   Pereira, David Montero ^b   Escario, José Antonio ^b   Nogal Ruiz, Juan José ^b   Ochoa, Carmen ^c   Arán, Vicente J ^c   Martínez Fernández, Antonio R ^b   García Sánchez, Rory N ^d  

^a CENTRAL UNIVERSITY OF LAS VILLAS   (Cuba)

^b UNIVERSIDAD COMPLUTENSE DE MADRID   (Spain)

^c INSTITUTO DE QUÍMICA MÉDICA   (Spain)

^d UNIVERSIDAD NACIONAL DE LA AMAZONÍA PERUANA   (Peru)

Author keywords

Atom based quadratic indices; Cytotoxic properties; LDA based model; TOMOCOMD CARDD software; Trichomonacidal

Indexed keywords

4 CHLOROBENZOIC ACID; ACETANILIDE; ACETAZOLAMIDE; AG 307; AMANTADINE; ANISOMYCIN; ANTITRICHOMONAL AGENT; AZANIDAZOLE; BAMIPINE; CARBIMAZOLE; CIRAZOLINE; CLIOQUINOL; COLESTIPOL; GUANAZOLE; HETEROCYCLIC COMPOUND; KC 8973; LYSERGIDE; MECYSTEINE; MEPARTRICIN; METHOCARBAMOL; METRONIDAZOLE; NAFTAZONE; NIFUROXIME; NIMORAZOLE; ORNIDAZOLE; PYRANTEL TARTRATE; RMI 11894; ROLIPRAM; SECNIDAZOLE; THIOACETAZONE; UNCLASSIFIED DRUG; UNINDEXED DRUG; VA 7 28; VA 7 33; VA 7 34; VA 7 36; VA 7 38; VA 7 67; VA 7 69;

ANALYTIC METHOD; ANTIPROTOZOAL ACTIVITY; ARTICLE; CHEMICAL STRUCTURE; CLASSIFICATION; COMPUTER MODEL; CONCENTRATION RESPONSE; CONTROLLED STUDY; CYTOTOXICITY; DRUG EFFICACY; DRUG IDENTIFICATION; DRUG SCREENING; LINEAR DISCRIMINATION ANALYSIS; MACROPHAGE; NONHUMAN; OUTCOMES RESEARCH; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SCREENING TEST; TRICHOMONAS VAGINALIS; VALIDATION PROCESS;

ANIMALS; ANTITRICHOMONAL AGENTS; COMPUTER SIMULATION; DRUG EVALUATION, PRECLINICAL; HETEROCYCLIC COMPOUNDS; STRUCTURE-ACTIVITY RELATIONSHIP; TRICHOMONAS VAGINALIS; USER-COMPUTER INTERFACE;

TRICHOMONAS VAGINALIS;

EID: 23244453314     PISSN: 0960894X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmcl.2005.05.124     Document Type: Article

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