Postgraduate Program in Natural and Synthetic Bioactive Products, Federal University of Paraiba, Cidade Universitaria, s/n - Castelo Branco, 58051-900, Joao Pessoa, Paraiba, Brazil.
Curr Top Med Chem. 2018;18(25):2186-2196. doi: 10.2174/1568026619666181130141818.
This increase in the prevalence of drug-resistant pathogens occurs at a time when the discovery and development of new antimicrobial agents occur slowly. In this context, the objective of this study was to investigate the antifungal activity of isoeugenol, a phenylpropanoid, by in vitro and in silico assays against Penicillium citrinum strains.
For in silico analysis, the software PASS online, Molinspiration and Osíris were used. For the determination of Minimum Inhibitory Concentration (MIC) and Minimal Fungicide Concentration (MFC) of isoeugenol and voriconazole were carried out using the broth microdilution technique. PASS online has shown that isoeugenol has the opportunity to present antiseptic, antifungal, antibacterial, antimycobacterial activities. Molinspiration showed that the phytoconstituent has good potential for oral bioavailability.
In the analysis with the Osiris program, it was demonstrated that isoeugenol has low irritant and tumorigenic risk. The MIC of isoeugenol varied between 256 and 32 µg/mL, MIC50 of 64 µg/mL and MIC90 was 128 µg/mL. The MFC50, MFC90 and MFC of the isoeugenol for P. citrinum species were 64, 256 and 518 μg/mL, respectively. After analysis, it was verified that the isoeugenol have bactericidal effect against the strains of P. citrinum. After these results, it is important to discover the mechanism of action involved in the antifungal action of the compound, as well as in vitro and in vivo toxicity tests.
耐药病原体的流行率增加发生在新抗菌药物的发现和开发进展缓慢的时期。在这种情况下，本研究的目的是通过体外和计算机模拟方法研究苯丙素异丁香酚对桔青霉素菌株的抗真菌活性。
为了进行计算机模拟分析，使用在线 PASS、Molinspiration 和 Osiris 软件。采用肉汤微量稀释技术测定异丁香酚和伏立康唑的最小抑菌浓度（MIC）和最小杀菌浓度（MFC）。在线 PASS 表明，异丁香酚具有防腐、抗真菌、抗菌、抗分枝杆菌活性的潜力。Molinspiration 显示，该植物成分具有良好的口服生物利用度潜力。
在 Osiris 程序的分析中，表明异丁香酚具有低刺激性和低致癌风险。异丁香酚的 MIC 值在 256 至 32 µg/mL 之间，MIC50 为 64 µg/mL，MIC90 为 128 µg/mL。P. citrinum 种的 MFC50、MFC90 和 MFC 分别为 64、256 和 518 µg/mL。分析后，证实异丁香酚对桔青霉素菌株具有杀菌作用。有了这些结果，就需要发现与该化合物抗真菌作用相关的作用机制，以及体外和体内毒性测试。
