M
Marcelo Santos Castilho
Researcher at Federal University of Bahia
Publications - 61
Citations - 858
Marcelo Santos Castilho is an academic researcher from Federal University of Bahia. The author has contributed to research in topics: Quantitative structure–activity relationship & Purine nucleoside phosphorylase. The author has an hindex of 17, co-authored 61 publications receiving 730 citations. Previous affiliations of Marcelo Santos Castilho include University of São Paulo & State University of Feira de Santana.
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Journal ArticleDOI
Structure of Trypanosoma cruzi glycosomal glyceraldehyde-3-phosphate dehydrogenase complexed with chalepin, a natural product inhibitor, at 1.95 Å resolution
Fernando Pavão,Marcelo Santos Castilho,Mônica Tallarico Pupo,Ricardo Augusto Dias,Arlene G. Corrêa,João B. Fernandes,M. G. da Silva,Jair Mafezoli,Paulo C. Vieira,Glaucius Oliva +9 more
TL;DR: The final refined model of the complex shows extensive conformational changes when compared with the native structure, and the mode of binding of chalepin to gGAPDH and its implications for inhibitor design are discussed.
Journal ArticleDOI
Two- and three-dimensional quantitative structure-activity relationships for a series of purine nucleoside phosphorylase inhibitors.
Marcelo Santos Castilho,Matheus P. Postigo,Caroline B.V. de Paula,Carlos A. Montanari,Glaucius Oliva,Adriano D. Andricopulo +5 more
TL;DR: The final QSAR models along with the information gathered from 3D contour and 2D contribution maps should be useful for the design of novel inhibitors of PNP having improved potency.
Journal ArticleDOI
Discovery of New Inhibitors of Schistosoma mansoni PNP by Pharmacophore-Based Virtual Screening
Matheus P. Postigo,Rafael Victorio Carvalho Guido,Glaucius Oliva,Marcelo Santos Castilho,Ivan da Rocha Pitta,Julianna Ferreira Cavalcanti de Albuquerque,Adriano Defini Andricopulo +6 more
TL;DR: Synthesis, biochemical evaluation, and structure-activity relationship investigations led to the successful development of a small set of thioxothiazolidinone derivatives harboring a novel chemical scaffold as new competitive inhibitors of SmPNP at the low-micromolar range.
Journal ArticleDOI
Crystal structure of Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase complexed with an analogue of 1,3-bisphospho-d-glyceric acid
Sylvain Ladame,Marcelo Santos Castilho,Carlos H T P Silva,Colette Denier,Véronique Hannaert,Jacques Périé,Glaucius Oliva,Michèle Willson +7 more
TL;DR: The first crystal structure of a stable isosteric analogue of 1,3-bisphospho-d-glyceric acid bound to the catalytic domain of Trypanosoma cruzi glycosomal glyceraldehyde-3-phosphate dehydrogenase (gGAPDH) in which the two phosphoryl moieties interact with Arg249 is reported.
Journal ArticleDOI
Evidence for the two phosphate binding sites of an analogue of the thioacyl intermediate for the Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase-catalyzed reaction, from its crystal structure.
Marcelo Santos Castilho,Fernando Pavão,Glaucius Oliva,Sylvain Ladame,Michèle Willson,Jacques Périé +5 more
TL;DR: Glyceraldehyde-3-phosphate dehydrogenase (GAPDH) catalyzes the reversible oxidative phosphorylation of d-GAP into d-glycerate 1,3-bisphosphates (1,3)-diPG as discussed by the authors.