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Drug discovery and computational strategies in the multitarget drugs era BJPS
Viana,Jéssika de Oliveira; Félix,Mayara Barbalho; Maia,Mayara dos Santos; Serafim,Vanessa de Lima; Scotti,Luciana; Scotti,Marcus Tullius.
The pharmaceutical industry is increasingly joining chemoinformatics in the search for the development of new drugs to be used in the treatment of diseases. These computational studies have the advantage of being less expensive and optimize the study time, and thus the interest in this area is increasing. Among the techniques used is the development of multitarget directed ligands (MTDLs), which has become an ascending technique, mainly due to the improvement in the quality of treatment involving several drugs. Multitarget therapy is more effective than traditional drug therapy that emphasizes maximum selectivity for a single target. In this review a multitarget drug survey was carried out as a promising strategy in several important diseases: neglected...
Tipo: Info:eu-repo/semantics/article Palavras-chave: Drug design; Multitarget compounds; In silico; Diseases.
Ano: 2018 URL: http://www.scielo.br/scielo.php?script=sci_arttext&pid=S1984-82502018000700409
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Hydrophilic iminosugar active-site-specific chaperones increase residual glucocerebrosidase activity in fibroblasts from Gaucher patients OAK
Chang, Hui-Hwa; Asano, Naoki; Ishii, Satoshi; Ichikawa, Yoshitaka; Fan, Jian-Qiang.
Gaucher disease is an autosomal recessive lysosomal storage disorder caused by the deficient activity of glucocerebrosidase. Accumulation of glucosylceramide, primarily in the lysosomes of cells of the reticuloendothelial system, leads to hepatosplenomegaly, anemia and skeletal lesions in type I disease, and neurologic manifestations in types II and III disease. We report herein the identification of hydrophilic active-site-specific chaperones that are capable of increasing glucocerebrosidase activity in the cultured fibroblasts of Gaucher patients. Screening of a variety of natural and synthetic alkaloid compounds showed isofagomine, N-dodecyl deoxynojirimycin, calystegines A(3), B-1, B-2 and C-1, and 1,5-dideoxy-1,5-iminoxylitol to be potent inhibitors...
Palavras-chave: Active-site-specific chaperone; Drug design; Gaucher disease; Glucocerebrosidase; Isofagomine.
Ano: 2006 URL: http://ir.obihiro.ac.jp/dspace/handle/10322/814
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