Studies of trypanocidal (inhibitory) power of naphthoquinones: Evaluation of quantum chemical molecular descriptors for structure-activity relationships

European Journal of Medicinal Chemistry

Volumn 43, Issue 10, 2008, Pages 2238-2246

  Paulino, M ^a   Alvareda, E M ^a   Denis, P A ^a   Barreiro, E J ^b   Sperandio da Silva, G M ^b   Dubin, M ^c   Gastellu C ^d   Aguilera, S ^e   Tapia, O ^f  

^a UNIVERSIDAD DE LA REPÚBLICA   (Uruguay)

^b FEDERAL UNIVERSITY OF RIO DE JANEIRO   (Brazil)

^c Centre de Estudios Farmacologicos y Botanicos   (Argentina)

^d Laboratorio Horus   (Uruguay)

^e Facultad de Ciencias   (Chile)

^f UPPSALA UNIVERSITY   (Sweden)

Author keywords

B3LYP; o Naphthoquinones; QSAR; Quantum molecular descriptors; Trypanosomatids

Indexed keywords

1,4 NAPHTHOQUINONE DERIVATIVE; ATOVAQUONE; BETA LAPACHONE; CG 10248; CG 8935; CG 9442; MANSONONE; MENADIONE; UNCLASSIFIED DRUG;

ANTIPROTOZOAL ACTIVITY; ARTICLE; BIOASSAY; DRUG STRUCTURE; IC 50; MOLECULAR MODEL; NONHUMAN; QUANTITATIVE STRUCTURE ACTIVITY RELATION; TRYPANOSOMA CRUZI;

ANIMALS; NAPHTHOQUINONES; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; QUANTUM THEORY; TRYPANOCIDAL AGENTS; TRYPANOSOMA CRUZI; TRYPANOSOMATINA;

EID: 53349099957     PISSN: 02235234     EISSN: 17683254     Source Type: Journal    
DOI: 10.1016/j.ejmech.2007.12.023     Document Type: Article

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