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

José Thyálisson da Costa Silva, Fabio Caboclo Moreira, José Jailson Lima Bezerra, Naiza Saraiva Farias, Aparecida Vitória Silva Menêses, Andressa Guilhermino dos Santos, Mariana dos Santos Santana, Maria Elenilda Paulino da Silva, V. Fonseca, Adrielle Rodrigues Costa, S. Menezes, R. Cruz, M. Morais-Braga, T. Tasca, C. Oliveira-Tintino, H. Coutinho, J. Almeida-Bezerra
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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.
对作为新型抗真菌和杀滴虫药源的茜草叶精油进行体外和硅学生物评估
随着微生物对各种药物产生抗药性,治疗感染变得越来越具有挑战性,从而导致病程延长、感染严重程度加剧、死亡率升高以及医疗成本增加。精油是一种亲脂性和挥发性混合物,在新型抗菌剂研究中备受关注。因此,本研究评估了茜草叶精油(EOSC),以探究其抗真菌和杀滴虫活性。研究人员通过蒸汽蒸馏法提取了叶子中的精油,并用气相色谱-质谱(GC-MS)对其进行了分析。抗真菌活性采用序列微稀释法进行评估。此外,还在亚抑制浓度下测试了 EOSC 作为氟康唑(FCZ)作用增强剂的潜力。为了评估抗阴道毛滴虫的活性,测试了浓度为 15.6 至 500 μg/mL 的 EOSC。最后,利用 SwissADME 平台分析了 EOSC 主要成分的理化和药代动力学特征。气相色谱-质谱分析鉴定出了 94.24% 的 EOSC 成分,其中α-蒎烯(51.11%)和橙花醇(8.25%)为主要成分。EOSC 对所评估的念珠菌菌株的抗真菌活性较低。不过,EOSC 和 FCZ 的组合降低了对克鲁塞念珠菌的 IC50 值,从 45.29 μg/mL 降至 0.30 μg/mL。EOSC 对阴道念珠菌也具有显著的活性(IC50 = 88.2 μg/mL)。对α-蒎烯进行的硅学预测显示,其毒性作用较低,而且在理化方面对药物生产具有重要意义。在发现具有潜在抗真菌和抗阴道毛滴虫作用的分子方面,茜草精油是一种很有前途的候选物质。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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