In silico identification of natural products from Traditional Chinese Medicine for cancer immunotherapy

作者：Chuipu Cai, Qihui Wu, Honghai Hong, Liying He, Zhihong Liu, Yong Gu, Shijie Zhang, Qi Wang, Xiude Fan, Jiansong Fang · 发表于：Scientific Reports · 年份：2021 · DOI：10.1038/s41598-021-82857-2 · 被引用次数：39 · 研究领域：Pharmacological Effects of Natural Compounds、Natural product bioactivities and synthesis、Traditional Chinese Medicine Analysis

Advances in immunotherapy have revolutionized treatments in many types of cancer. Traditional Chinese Medicine (TCM), which has a long history of clinical adjuvant application against cancer, is emerging as an important medical resource for developing innovative cancer treatments, including immunotherapy. In this study, we developed a quantitative and systems pharmacology-based framework to identify TCM-derived natural products for cancer immunotherapy. Specifically, we integrated 381 cancer immune response-related genes and a compound-target interaction network connecting 3273 proteins and 766 natural products from 66 cancer-related herbs based on literature-mining. Via systems pharmacology-based prediction, we uncovered 182 TCM-derived natural products having potential anti-tumor immune responses effect. Importantly, 32 of the 49 most promising natural products (success rate = 65.31%) are validated by multiple evidence, including published experimental data from clinical studies, in vitro and in vivo assays. We further identified the mechanism-of-action of TCM in cancer immunotherapy using network-based functional enrichment analysis. We showcased that three typical natural products (baicalin, wogonin, and oroxylin A) in Huangqin (Scutellaria baicalensis Georgi) potentially overcome resistance of known oncology agents by regulating tumor immunosuppressive microenvironments. In summary, this study offers a novel and effective systems pharmacology infrastructure for potential...