Jaiswal Neha, Kumar Awanish
Department of Biotechnology, National Institute of Technology, Raipur, CG, 492010, India.
Chin J Integr Med. 2025 Jun;31(6):541-551. doi: 10.1007/s11655-024-3913-3. Epub 2024 Nov 18.
To map the potent antifungal properties of the medicinal plant Vitex negundo, in vitro and in silico studies were performed to decipher the pharmacokinetics and ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity) properties of their phytoconstituents.
With the PASS (Prediction of Activity Spectra for Substances) prediction tool, many parameters of V. negundo phenolics were examined, including drug-likeness, bioavailability, antifungal activity, and anti-biofilm activity. Moreover, ADMET parameters were also determined.
Eighteen phenolic compounds from V. negundo with significant antifungal activity against Candida species (human fungal pathogens) were detected. The antioxidant activity, inhibition percentage, and minimum inhibitory concentration value of V. negundo phenolic extracts indicate it as an effective antifungal agent for the treatment of candidiasis caused by the fungal pathogen Candida albicans. Many phenolic compounds showed a significantly high efficiency against Candida's planktonic cells and biofilm condition.
The phenolics fraction of V. negundo has potent antifungal activities, however, some more pre-clinical studies are a matter of future research to further investigate V. negundo phenolic compound as a potential new antifungal arsenal.
为了描绘药用植物黄荆的强效抗真菌特性,进行了体外和计算机模拟研究,以解读其植物成分的药代动力学和ADMET(吸收、分布、代谢、排泄和毒性)特性。
使用PASS(物质活性谱预测)预测工具,检测了黄荆酚类化合物的许多参数,包括类药性、生物利用度、抗真菌活性和抗生物膜活性。此外,还确定了ADMET参数。
检测到18种来自黄荆的酚类化合物,它们对念珠菌属(人类真菌病原体)具有显著的抗真菌活性。黄荆酚类提取物的抗氧化活性、抑制率和最低抑菌浓度值表明,它是治疗由真菌病原体白色念珠菌引起的念珠菌病的有效抗真菌剂。许多酚类化合物对念珠菌的浮游细胞和生物膜状态显示出显著的高效性。
黄荆的酚类部分具有强效抗真菌活性,然而,一些更多的临床前研究是未来的研究方向,以进一步研究黄荆酚类化合物作为一种潜在的新型抗真菌武器。