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Cinnamic acids derived compounds with antileishmanial activity target Leishmania amazonensis arginase.

Edson Roberto da SilvaSimone BrogiAlessandro GrilloGiuseppe CampianiSandra GemmaPaulo Cezar VieiraClaudia do Carmo Maquiaveli
Published in: Chemical biology & drug design (2018)
This study describes the activity of five natural hydroxycinnamic acids and derived compound: caffeic (1), rosmarinic (2), chlorogenic (3), and cryptochlorogenic (4), acids and isoverbascoside (5). All compounds inhibited Leishmania amazonensis arginase with IC50 -in range of 1.5-11 μM. Compounds 2 and 5 also showed activity against promastigotes of L. amazonensis with IC50  = 61 (28-133) μM and IC50  = 14 (9-24) μM, respectively. Further computational studies applying molecular docking simulations were performed on the competitive inhibitors to gain insight into the molecular basis for arginase inhibition and could be exploited to the development of new antileishmanials drug targeting parasite arginase.
Keyphrases
  • molecular docking
  • nitric oxide synthase
  • molecular dynamics simulations
  • nitric oxide
  • emergency department
  • molecular dynamics
  • drug induced