In Vitro and In Silico Biological Evaluation of the Essential Oil from Syzigium cumini Leaves as a Source of Novel Antifungal and Trichomonacidal Agents

Author:

Silva José Thyálisson da Costa1ORCID,Moreira Fabio Caboclo1,Bezerra José Jailson Lima2ORCID,Farias Naiza Saraiva3,Menêses Aparecida Vitória Silva1,Santos Andressa Guilhermino dos1,Santana Mariana dos Santos1,Silva Maria Elenilda Paulino da1,Fonseca Victor Juno Alencar3,Costa Adrielle Rodrigues4,Menezes Saulo Almeida5ORCID,Cruz Rafael Pereira da1,Morais-Braga Maria Flaviana Bezerra1ORCID,Tasca Tiana5ORCID,Oliveira-Tintino Cícera Datiane de Morais3ORCID,Coutinho Henrique Douglas Melo3ORCID,Almeida-Bezerra José Weverton3ORCID

Affiliation:

1. Departamento de Ciências Biológicas, Universidade Regional do Cariri—URCA, Crato 63105-000, Brazil

2. Departamento de Botânica, Universidade Federal de Pernambuco—UFPE, Recife 50670-901, Brazil

3. Departamento de Química Biológica, Universidade Regional do Cariri—URCA, Crato 63105-000, Brazil

4. Centro de Ciências Agrárias e Biodiversidade, Universidade Federal do Cariri—UFCA, Crato 63133-610, Brazil

5. Faculdade de Farmácia e Centro de Biotecnologia, Universidade Federal do Rio Grande do Sul—UFRGS, Porto Alegre 90610-000, Brazil

Abstract

As microbes develop resistance to various drugs, the treatment of infections becomes increasingly challenging, leading to prolonged illness, heightened severity of infections, elevated mortality rates, and increased healthcare costs. Essential oils are lipophilic and volatile mixtures of compounds that have gained attention in research for novel antimicrobial agents. Therefore, the present study evaluated the essential oil of Syzygium cumini leaves (EOSC) in order to prospect its antifungal and trichomonacidal activities. The essential oil from the leaves was extracted by steam distillation and analyzed by GC-MS. Antifungal activity was evaluated using the serial microdilution method. Additionally, the potential of the EOSC as an enhancer of fluconazole (FCZ) action was tested at subinhibitory concentrations. To assess anti-Trichomonas vaginalis activity, concentrations ranging from 15.6 to 500 μg/mL of EOSC were tested. Finally, the SwissADME platform was employed to analyze the physicochemical and pharmacokinetic characteristics of the major component of EOSC. The GC-MS analysis identified 94.24% of the components of EOSC, with α-pinene (51.11%) and nerol (8.25%) as major constituents. EOSC exhibited low antifungal activity against the evaluated Candida strains. However, the combination of EOSC and FCZ reduced the IC50 against Candida krusei from 45.29 to 0.30 μg/mL. EOSC also demonstrated significant activity against T. vaginalis (IC50 = 88.2 μg/mL). In silico prediction with α-pinene showed low toxic action and important physicochemical aspects for drug production. The essential oil of Syzygium cumini emerges as a promising candidate for the discovery of molecules with potential antifungal and anti-Trichomonas vaginalis applications.

Publisher

MDPI AG

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