Smart manufacturing still remains critical challenges for pharmaceutical manufacturing.Here,an original data-driven engineering framework was proposed to tackle the challenges.Firstly,from sporadic indicators to five ...Smart manufacturing still remains critical challenges for pharmaceutical manufacturing.Here,an original data-driven engineering framework was proposed to tackle the challenges.Firstly,from sporadic indicators to five kinds of systematic quality characteristics,nearly 2,000,000 real-world data points were successively characterized from Ginkgo Folium tablet manufacturing.Then,from simplex to the multivariate system,the digital process capability diagnosis strategy was proposed by multivariate C_(pk)integrated Bootstrap-t.The C_(pk)of Ginkgo Folium extracts,granules,and tablets were discovered,which was 0.59,0.42,and 0.78,respectively,indicating a relatively weak process capability,especially in granulating.Furthermore,the quality traceability was discovered from unit to end-to-end analysis,which decreased from 2.17 to 1.73.This further proved that attention should be paid to granulating to improve the quality characteristic.In conclusion,this paper provided a data-driven engineering strategy empowering industrial innovation to face the challenge of smart pharmaceutical manufacturing.展开更多
目的:基于网络药理学及分子对接方法探讨银杏叶治疗肝癌的活性成分、潜在靶点及作用机制。方法:采用TCMSP、Swiss Target Prediction、DrugBank和Genecards等数据库预测银杏叶的活性成分和肝癌相关疾病靶点,取交集后构建蛋白互作网络,使...目的:基于网络药理学及分子对接方法探讨银杏叶治疗肝癌的活性成分、潜在靶点及作用机制。方法:采用TCMSP、Swiss Target Prediction、DrugBank和Genecards等数据库预测银杏叶的活性成分和肝癌相关疾病靶点,取交集后构建蛋白互作网络,使用String、Cytoscape3.9.1分析平台绘制“成分-疾病-靶点”PPI网络图,采用Metascape分析平台对核心靶点进行GO功能和KEGG通路富集分析,使用Chem BIO 3D和Auto Dock Tools进行分子对接,模拟化合物与疾病靶点间的结合活性。结果:银杏叶活性成分27种主要为黄酮类化合物,关联861个疾病靶点,肝癌疾病靶点1637个,78个银杏叶与肝癌交集靶点,可能通路10条,包括Proteoglycans in cancer、Endocrine resistance、Estrogen signaling pathway等;分子对接结果表明活性化合物与靶点亲和力较好。结论:银杏叶中木犀草素-4'-葡萄糖苷、毛茛黄素、香叶木素等可能是治疗肝癌的关键成分,体现了银杏叶多成分、多靶点治疗肝癌的特点,为今后银杏叶的深度研究与开发提供了参考思路。展开更多
基金co-National Outstanding Youth Science Fund Project of National Natural Science Foundation of China(Grant No.82022073,China)Major scientific and technological R&D projects in Jiangxi Province(Grant No.20203ABC28W018,China)National Key Research and Development Program of China(Grant No.2018YFC1706900,China)。
文摘Smart manufacturing still remains critical challenges for pharmaceutical manufacturing.Here,an original data-driven engineering framework was proposed to tackle the challenges.Firstly,from sporadic indicators to five kinds of systematic quality characteristics,nearly 2,000,000 real-world data points were successively characterized from Ginkgo Folium tablet manufacturing.Then,from simplex to the multivariate system,the digital process capability diagnosis strategy was proposed by multivariate C_(pk)integrated Bootstrap-t.The C_(pk)of Ginkgo Folium extracts,granules,and tablets were discovered,which was 0.59,0.42,and 0.78,respectively,indicating a relatively weak process capability,especially in granulating.Furthermore,the quality traceability was discovered from unit to end-to-end analysis,which decreased from 2.17 to 1.73.This further proved that attention should be paid to granulating to improve the quality characteristic.In conclusion,this paper provided a data-driven engineering strategy empowering industrial innovation to face the challenge of smart pharmaceutical manufacturing.
文摘目的:基于网络药理学及分子对接方法探讨银杏叶治疗肝癌的活性成分、潜在靶点及作用机制。方法:采用TCMSP、Swiss Target Prediction、DrugBank和Genecards等数据库预测银杏叶的活性成分和肝癌相关疾病靶点,取交集后构建蛋白互作网络,使用String、Cytoscape3.9.1分析平台绘制“成分-疾病-靶点”PPI网络图,采用Metascape分析平台对核心靶点进行GO功能和KEGG通路富集分析,使用Chem BIO 3D和Auto Dock Tools进行分子对接,模拟化合物与疾病靶点间的结合活性。结果:银杏叶活性成分27种主要为黄酮类化合物,关联861个疾病靶点,肝癌疾病靶点1637个,78个银杏叶与肝癌交集靶点,可能通路10条,包括Proteoglycans in cancer、Endocrine resistance、Estrogen signaling pathway等;分子对接结果表明活性化合物与靶点亲和力较好。结论:银杏叶中木犀草素-4'-葡萄糖苷、毛茛黄素、香叶木素等可能是治疗肝癌的关键成分,体现了银杏叶多成分、多靶点治疗肝癌的特点,为今后银杏叶的深度研究与开发提供了参考思路。
