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分子网络多靶标筛选的粒子群数值模拟法 被引量:2
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作者 周福家 张宏伟 李卫国 《计算力学学报》 CAS CSCD 北大核心 2015年第2期269-273,279,共6页
当前对于疾病分子网络的治疗多采用多靶标药物治疗。多靶标药物治疗共分为两步,首先是筛选潜在的药物靶标,其次利用筛选出的药物靶标进行组合,进而得到有效的抑制方案。但现有算法耗时太多,本文使用花生四烯酸(Arachidonic acid)炎症代... 当前对于疾病分子网络的治疗多采用多靶标药物治疗。多靶标药物治疗共分为两步,首先是筛选潜在的药物靶标,其次利用筛选出的药物靶标进行组合,进而得到有效的抑制方案。但现有算法耗时太多,本文使用花生四烯酸(Arachidonic acid)炎症代谢网络作为一个具体算例,使用改进并行的粒子群算法进行多靶标筛选优化,不仅能够得到药物靶标的有效组合,而且根据进程的个数可以使计算时间达到数倍的提高。 展开更多
关键词 多靶标筛选 AA代谢网络 并行粒子群算法 疾病分子网络
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Mechanism of herbal pairs with the properties of Qi-tonifying,blood activation,blood-stasis breaking in treating coronary heart disease 被引量:1
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作者 Yang Jing Li Jian +6 位作者 Li Li Zhao Ning Niu Xuyan He Xiaojuan Jiang Miao Lü Aiping Lei Yan 《Journal of Traditional Chinese Medicine》 SCIE CAS CSCD 2017年第2期269-278,共10页
OBJECTIVE:To investigating the molecular mechanism of herbal pairs in three types of Chinese medicinals:Qi-tonifying,blood activation,blood-stasis breaking in treatment of coronary heart disease(CHD).METHODS:The compo... OBJECTIVE:To investigating the molecular mechanism of herbal pairs in three types of Chinese medicinals:Qi-tonifying,blood activation,blood-stasis breaking in treatment of coronary heart disease(CHD).METHODS:The components of six herbs were searched in Chinese medicine dictionary and their target proteins were found in PubChem.CHD genes were obtained from PubMed gene database.Ingenuity Pathways Analysis was used to build the pharmacological network of three herbal pairs and CHD molecular network.The canonical pathways between each herbal pair network and CHD network was compared to decipher the molecular mechanism on three herbal pairs in treating CHD.RESULTS:The network analysis showed that there were the common signal pathways of three herbal pairs in treating CHD including hypoxia signaling in the cardiovascular system,Hypoxia-inducible factor 1-alpha signaling,glucocorticoid receptor signaling,G-Protein coupled receptor signaling and pregnane X receptor/retinoid X receptor(PXR/RXR)activation.Further to analyze cardiovascular signaling,cytokine signaling and cytokine signaling,the effective molecules for three herbal pairs in treating CHD included HIF1α and estrogen receptor 1,Qi-tonifying herbal pair included albumin and matrix metallopeptidase 2,and blood-activation herbal pair included estrogen receptor 2 and peroxisome proliferator-activated receptor-γ.CONCLUSION:Each herbal pair can affect some respective CHD-related functions and pathways,meanwhile three herbal pairs exert some mutual effects on CHD-related functions and pathways.Mutual effects of three herbal pairs may be the key components of their total molecular mechanisms and respective effects of each herbal pair may be the characteristic components of their respective molecular mechanism. 展开更多
关键词 Coronary disease Reinforcing Qi activating blood Molecular network Ingenuity pathways analysis
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