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(Reference retrieved automatically from Web of Science through information on FAPESP grant and its corresponding number as mentioned in the publication by the authors.)

Molecular Modeling and Docking Application to Evaluate Cruzain Inhibitory Activity by Chalcones and Hydrazides

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Author(s):
Vital, Drielli Gomes [1] ; Arribas, Marco [1] ; Goulart Trossini, Gustavo Henrique [1]
Total Authors: 3
Affiliation:
[1] Univ Sao Paulo, Dept Pharm, Fac Pharmaceut Sci, BR-05508900 Sao Paulo - Brazil
Total Affiliations: 1
Document type: Journal article
Source: LETTERS IN DRUG DESIGN & DISCOVERY; v. 11, n. 3, p. 249-255, MAR 2014.
Web of Science Citations: 8
Abstract

Chagas disease is an infection caused by the intracellular protozoan Trypanosoma cruzi. It is estimated that more than 10 million people are infected, with 25 million living in areas at risk. The only drugs currently used in the therapy against this disease are nifurtimox and benznidazole; both, however, are only effective in the acute phase and also highly toxic. Therefore, the development of new drug candidates against this illness is of utmost importance. Cruzain, a cysteine protease involved in intracellular replication and differentiation of T. cruzi, has been selected as an attractive target for the development of new antitrypanosomal agents. In this context, compounds such as chalcones and hydrazides have presented a promising inhibitory activity against cruzain and hence are promising antichagasics. In this work we have applied molecular modeling methods and docking studies to evaluate the stereoeletronic properties of a series of compounds with cruzain inhibitory activity. (AU)

FAPESP's process: 11/11499-0 - Bioisosterism in the design of new antichagasic agents: integration of computational and experimental strategies
Grantee:Gustavo Henrique Goulart Trossini
Support Opportunities: Regular Research Grants