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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.)

Structure-activity relationship study of antitrypanosomal chalcone derivatives using multivariate analysis

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Gomes, Kaio S. [1] ; da Costa-Silva, Thais A. [1] ; Oliveira, Igor H. [2] ; Aguilar, Andrea M. [2] ; Oliveira-Silva, Diogo [2] ; Uemi, Miriam [2] ; Silva, Wender A. [3] ; Melo, Lennine R. [3] ; Andrade, Carlos Kleber Z. [3] ; Tempone, Andre G. [4] ; Baldim, Joao L. [1] ; Lago, Joao Henrique G. [1]
Total Authors: 12
[1] Univ Fed ABC, Ctr Ciencias Nat & Humanas, BR-09210580 Santo Andre, SP - Brazil
[2] Univ Fed Sao Paulo, Inst Ciencias Ambientais Quim & Farmaceut, Dept Quim, BR-09972270 Diadema, SP - Brazil
[3] Univ Brasilia, Inst Quim, BR-70910900 Brasilia, DF - Brazil
[4] Adolfo Lutz Inst, Ctr Parasitol & Micol, BR-01246000 Sao Paulo, SP - Brazil
Total Affiliations: 4
Document type: Journal article
Source: Bioorganic & Medicinal Chemistry Letters; v. 29, n. 12, p. 1459-1462, JUN 15 2019.
Web of Science Citations: 0

Chagas disease represents one of several neglected diseases with a reduced number of chemotherapeutical drugs including the highly toxic compounds benznidazole and nifurtimox. In this sense, natural products represent an import scaffold for the discovery of new biologically active compounds, in which chalcones are promising representatives due to their antitrypanosomal potential. In this work, a series of 36 chalcone derivatives were synthesized and tested against trypomastigotes of Trypanosoma cruzi. In addition, a detailed investigation on their molecular features was performed. The obtained results suggest that certain molecular features are fundamental for an efficient antitrypanosomal potential of chalcones, such as allylic groups, alpha,beta-unsaturated carbonyl system, and aromatic hydroxyl groups. These results were obtained based on the interpretation of machine-learning and multivariate statistical methods, which revealed the essential characteristics of chalcone prototypes against trypomastigotes of T. cruzi. (AU)

FAPESP's process: 18/10279-6 - Selection and Optimization of New Drug Candidates for Leishmaniasis and Chagas Disease
Grantee:André Gustavo Tempone Cardoso
Support Opportunities: Regular Research Grants
FAPESP's process: 18/07885-1 - Biomolecules from plant species of remnant areas of the Atlantic Forest and Cerrado to treat neglected tropical diseases - chemical and pharmacological aspects
Grantee:João Henrique Ghilardi Lago
Support Opportunities: BIOTA-FAPESP Program - Regular Research Grants