Bioprospecting Laboratory, Interdisciplinary School of Health Sciences, Savitribai Phule Pune University, Pune 411 007, India.
Bioprospecting Laboratory, Interdisciplinary School of Health Sciences, Savitribai Phule Pune University, Pune 411 007, India.
J Ethnopharmacol. 2017 Feb 2;197:250-256. doi: 10.1016/j.jep.2016.07.080. Epub 2016 Jul 31.
Withania somnifera (L.) Dunal (Ashwagandha, WS) is one of the extensively explored Ayurvedic botanicals. Several properties including immunomodulation, anti-cancer and neuro-protection of the botanical have been reported. Even though, in indigenous medicine, WS is well known for its immunomodulatory activity, the molecular mechanism of immunomodulation has not been elucidated.
This study aimed the evaluation of the immunomodulatory effect of WS using network ethnopharmacology technique to elucidate the in silico molecular mechanism.
Databases- DPED, UNPD, PubChem, Binding DB, ChEMBL, KEGG and STRING were used to gather information to develop the networks. The networks were constructed using Cytoscape 3.2.1. Data analysis was performed with the help of Excel pivot table and Cytoscape network analyzer tool.
Investigation for WS immune modulation mechanism identified five bioactives that are capable of regulating 15 immune system pathways through 16 target proteins by bioactive-target and protein-protein interactions. The study also unveils the potential of withanolide-phytosterol combination to achieve effective immunomodulation and seven novel bioactive-immune target combinations.
The study elucidated an in silico molecular mechanism of immunomodulation of WS. It unveils the potential of withanolide-phytosterol combination to achieve a better immunomodulation. Experimental validation of the network findings would aid in understanding the rationale behind WS immunomodulation as well as aid in bioactive formulation based drug discovery.
南非醉茄（L.）邓纳尔（ Ashwagandha ， WS ）是广泛探索的阿育吠陀植物之一。已经报道了该植物的几种特性，包括免疫调节、抗癌和神经保护。尽管在土着医学中， WS 以其免疫调节活性而闻名，但免疫调节的分子机制尚未阐明。
本研究旨在使用网络民族药理学技术评估 WS 的免疫调节作用，以阐明其体内分子机制。
使用 DPED 、 UNPD 、 PubChem 、 Binding DB 、 ChEMBL 、 KEGG 和 STRING 数据库收集信息以开发网络。使用 Cytoscape 3.2.1 构建网络。使用 Excel 数据透视表和 Cytoscape 网络分析器工具进行数据分析。
对 WS 免疫调节机制的研究确定了五种生物活性物质，它们能够通过生物活性-靶标和蛋白质-蛋白质相互作用调节 15 条免疫系统途径的 16 个靶标蛋白。该研究还揭示了与醇-植物甾醇组合实现有效免疫调节的潜力以及七种新的生物活性-免疫靶标组合。
本研究阐明了 WS 免疫调节的体内分子机制。它揭示了与醇-植物甾醇组合实现更好免疫调节的潜力。对网络发现的实验验证将有助于理解 WS 免疫调节背后的原理，并有助于基于生物活性的药物发现。
