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J Glob Antimicrob Resist. 2019 Sep;18:187-194. doi: 10.1016/j.jgar.2019.02.008. Epub 2019 Feb 20.

In silico and in vitro comparative activity of green tea components against Leishmania infantum.

Author information

1
Department of Medical Parasitology and Mycology and Cellular and Molecular Research Center, Urmia University of Medical Sciences, Urmia, Iran.
2
Social Determinants of Health Research Center, Urmia University of Medical Sciences, Urmia, Iran; Department of Medicinal Chemistry, School of Pharmacy, Ahvaz Jundishapur University of Medical Sciences, Ahvaz, Iran. Electronic address: kaveh86pharmacist@gmail.com.
3
Research Center of Thalassemia & Hemoglobinopathy, Health Research Institute, Ahvaz Jundishapur University of Medical Sciences, Ahvaz, Iran; Clinical Research Development Unit, Golestan Hospital, Ahvaz Jundishapur University of Medical Sciences, Ahvaz, Iran. Electronic address: Bioinfo2003@gmail.com.
4
Department of Parasitology, Faculty of Medical Sciences, Tarbiat Modares University, Tehran, Iran; Student Research Committee, Urmia University of Medical Sciences, Urmia, Iran.
5
Department of Medical Parasitology and Mycology, School of Public Health, Tehran University of Medical Sciences, Tehran, Iran; Student Research Committee, Urmia University of Medical Sciences, Urmia, Iran.
6
Department of Medical Parasitology and Mycology and Cellular and Molecular Research Center, Urmia University of Medical Sciences, Urmia, Iran; Student Research Committee, Urmia University of Medical Sciences, Urmia, Iran.

Abstract

OBJECTIVES:

Green tea contains a predominant set of polyphenolic compounds with biological activities. The aim of this study was to investigate the antileishmanial activities of the main components of green tea, including catechin, (-)-epicatechin, epicatechin gallate (ECG) and (-)-epigallocatechin 3-O-gallate (EGCG), against Leishmania infantum promastigotes.

METHODS:

Green tea ligands and the control drug pentamidine were docked using AutoDock 4.3 software into the active sites of trypanothione synthetase and arginase, which were modelled using homology modelling programs. The colorimetric MTT [3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide] assay was used to measure L. infantum promastigotes at different concentrations of green tea compounds in a concentration- and time-dependent manner. Results were expressed as 50% and 90% inhibitory concentrations (IC50 and IC90, respectively).

RESULTS:

In silico and in vitro assays showed that all of the green tea compounds have antileishmanial activity. EGCG and ECG were the most active compounds against L. infantum promastigotes, with IC50 values of 27.7μM and 75μM and IC90 values of 88.4μM and 188.7μM, respectively. Pentamidine displayed greater growth inhibition than all of the other tested compounds in a concentration- and time-dependent manner.

CONCLUSION:

In this study, in silico and docking results were in accordance with the in vitro activity of the compounds. Moreover, EGCG and ECG showed reasonable levels of selectivity for Leishmania.

KEYWORDS:

Bioinformatics; Green tea; In silico; In vitro; Leishmania infantum

PMID:
30797085
DOI:
10.1016/j.jgar.2019.02.008

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