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Exploration of the Potential Mechanism of Calculus Bovis in Treatment of Primary Liver Cancer by Network Pharmacology.
Combinatorial Chemistry & High Throughput Screening ( IF 1.8 ) Pub Date : 2020-12-31 , DOI: 10.2174/1386207323666200808172051
Zhen Zhang 1 , Puhua Zeng 2 , Wenhui Gao 3 , Ruoxia Wu 1 , Tianhao Deng 2 , Siqin Chen 2 , Xuefei Tian 1
Affiliation  

Aim and Objective: Calculus Bovis (CB) has been employed to treat diseases for a long time. It has been identified to play significant anti-inflammatory and anti-tumor roles. However, the mechanism of treating primary liver cancer (PLC) remains to be revealed. This study aims to clarify the molecules and mechanisms of CB in treating PLC.

Materials and Methods: After oral bioavailability (OB) and drug-likeness (DL) screening, 15 small molecules were identified as the potential ingredients against PLC. Following this, related targets network constructions and pathways were applied to clarify the mechanism of CB in treating PLC. An in vitro experiment was carried out to identify the function of CB in treating PLC.

Results: Eleven compounds of CB were identified that play an anti-PLC role, including oleanolic acid, ergosterol, ursolic acid, etc. The potential targets which were observed include IL6, MAPK-8, VEGFA, Caspase-3, etc. Further analysis showed that the mechanism of CB in the treatment of PLC involved apoptosis-related pathways and immune-related pathways.

Conclusion: In summary, the current study combines network pharmacology and in vitro experiments to reveal the mechanism of CB against PLC. We concluded that 11 ingredients of CB have an anti-PLC effect. Furthermore, CB plays a key role in treating PLC mainly by apoptosisrelated pathways and immune-related pathways. Our experiment verifies that CB promotes the apoptosis of SMMC-7721.



中文翻译:

网络药理学探索牛黄治疗原发性肝癌的潜在机制。

目的与目的:牛黄(CB)长期以来被用于治疗疾病。它已被确定具有显着的抗炎和抗肿瘤作用。然而,治疗原发性肝癌(PLC)的机制仍有待揭示。本研究旨在阐明CB治疗PLC的分子和机制。

材料和方法:经口服生物利用度(OB)和药物相似性(DL)筛选,15 种小分子被确定为抗 PLC 的潜在成分。在此之后,应用相关目标网络构建和途径来阐明CB治疗PLC的机制。进行了体外实验以鉴定CB在治疗PLC中的作用。

结果:鉴定出11种CB具有抗PLC作用的化合物,包括齐墩果酸、麦角甾醇、熊果酸等。观察到的潜在靶点包括IL6、MAPK-8、VEGFA、Caspase-3等。 进一步分析表明CB治疗PLC的机制涉及细胞凋亡相关通路和免疫相关通路。

结论:综上所述,本研究结合网络药理学和体外实验揭示了CB对抗PLC的机制。我们得出结论,CB 的 11 种成分具有抗 PLC 作用。此外,CB 主要通过凋亡相关通路和免疫相关通路在治疗 PLC 中起关键作用。我们的实验证实了CB促进了SMMC-7721的凋亡。

更新日期:2021-01-13
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