蛋白质互作用网络是一种典型的复杂网络,呈现了明显的社区结构。网络中的社区对应于功能模块,通常被看作蛋白质复合物。蛋白质复合物识别对预测蛋白质功能,解释特定生物进程具有重要作用。基于种子节点扩展的图聚类方法在蛋白质复合物...蛋白质互作用网络是一种典型的复杂网络,呈现了明显的社区结构。网络中的社区对应于功能模块,通常被看作蛋白质复合物。蛋白质复合物识别对预测蛋白质功能,解释特定生物进程具有重要作用。基于种子节点扩展的图聚类方法在蛋白质复合物识别中应用广泛。针对此类算法最终结果受种子节点的影响较大,并且在簇的形成过程中搜索空间有限等问题,提出了一种基于遗传算法的蛋白质复合物识别算法GAGC(genetic algorithm based graph clustering),其中个体表示聚类结果(类别之间可能存在重叠节点),以F-measure值作为种群进化的目标函数。算法采用IPCA(improvement development clustering algorithm)算法产生初始种群;针对初始种群,设计了染色体对齐方式以进行交叉操作产生下一代种群。通过与DPClus、MCODE、IPCA、Cluster One、HC-PIN、CFinder等经典算法的对比实验表明,GAGC算法能够扩大图聚类算法的搜索空间,提高解的多样性,进而提高蛋白质复合物检测的性能。展开更多
Essential proteins are inseparable in cell growth and survival. The study of essential proteins is important for understanding cellular functions and biological mechanisms. Therefore, various computable methods have b...Essential proteins are inseparable in cell growth and survival. The study of essential proteins is important for understanding cellular functions and biological mechanisms. Therefore, various computable methods have been proposed to identify essential proteins. Unfortunately, most methods based on network topology only consider the interactions between a protein and its neighboring proteins, and not the interactions with its higher-order distance proteins. In this paper, we propose the DSEP algorithm in which we integrated network topology properties and subcellular localization information in protein–protein interaction(PPI) networks based on four-order distances, and then used random walks to identify the essential proteins. We also propose a method to calculate the finite-order distance of the network, which can greatly reduce the time complexity of our algorithm. We conducted a comprehensive comparison of the DSEP algorithm with 11 existing classical algorithms to identify essential proteins with multiple evaluation methods. The results show that DSEP is superior to these 11 methods.展开更多
Huosu Yangwei(HSYW) Formula is a traditioanl Chinese herbal medicine that has been extensively used to treat chronic atrophic gastritis, precancerous lesions of gastric cancer and advanced gastric cancer. However, the...Huosu Yangwei(HSYW) Formula is a traditioanl Chinese herbal medicine that has been extensively used to treat chronic atrophic gastritis, precancerous lesions of gastric cancer and advanced gastric cancer. However, the effective compounds of HSYW and its related anti-tumor mechanisms are not completely understood. In the current study, 160 ingredients of HSYW were identified and 64 effective compounds were screened by the ADMET evaluation. Furthermore, 64 effective compounds and 2579 potential targets were mapped based on public databases. Animal experiments demonstrated that HSYW significantly inhibited tumor growth in vivo. Transcriptional profiles revealed that 81 mRNAs were differentially expressed in HSYW-treated N87-bearing Balb/c mice. Network pharmacology and PPI network showed that 12 core genes acted as potential markers to evaluate the curative effects of HSYW. Bioinformatics and qRT-PCR results suggested that HSYW might regulate the mRNA expression of DNAJB4, CALD,AKR1C1, CST1, CASP1, PREX1, SOCS3 and PRDM1 against tumor growth in N87-bearing Balb/c mice.展开更多
Essential proteins play a vital role in biological processes,and the combination of gene expression profiles with Protein-Protein Interaction(PPI)networks can improve the identification of essential proteins.However,g...Essential proteins play a vital role in biological processes,and the combination of gene expression profiles with Protein-Protein Interaction(PPI)networks can improve the identification of essential proteins.However,gene expression data are prone to significant fluctuations due to noise interference in topological networks.In this work,we discretized gene expression data and used the discrete similarities of the gene expression spectrum to eliminate noise fluctuation.We then proposed the Pearson Jaccard coefficient(PJC)that consisted of continuous and discrete similarities in the gene expression data.Using the graph theory as the basis,we fused the newly proposed similarity coefficient with the existing network topology prediction algorithm at each protein node to recognize essential proteins.This strategy exhibited a high recognition rate and good specificity.We validated the new similarity coefficient PJC on PPI datasets of Krogan,Gavin,and DIP of yeast species and evaluated the results by receiver operating characteristic analysis,jackknife analysis,top analysis,and accuracy analysis.Compared with that of node-based network topology centrality and fusion biological information centrality methods,the new similarity coefficient PJC showed a significantly improved prediction performance for essential proteins in DC,IC,Eigenvector centrality,subgraph centrality,betweenness centrality,closeness centrality,NC,PeC,and WDC.We also compared the PJC coefficient with other methods using the NF-PIN algorithm,which predicts proteins by constructing active PPI networks through dynamic gene expression.The experimental results proved that our newly proposed similarity coefficient PJC has superior advantages in predicting essential proteins.展开更多
Duplication and divergence have been widely recognized as the two domi- nant evolutionary forces in shaping biological networks, e.g., gene regulatory networks and protein-protein interaction （PPI） networks. It has ...Duplication and divergence have been widely recognized as the two domi- nant evolutionary forces in shaping biological networks, e.g., gene regulatory networks and protein-protein interaction （PPI） networks. It has been shown that the network growth models constructed on the principle of duplication and divergence can recapture the topo- logical properties of real PPI networks. However, such network models only consider the evolution processes. How to select the model parameters with the real biological experi- mental data has not been presented. Therefore, based on the real PPI network statistical data, a yeast PPI network model is constructed. The simulation results indicate that the topological characteristics of the constructed network model are well consistent with those of real PPI networks, especially on sparseness, scale-free, small-world, hierarchical modularity, and disassortativity.展开更多
针对蚁群融合FCM聚类算法在蛋白质相互作用网络中进行复合物识别的准确率不高、召回率较低以及时间性能不佳等问题进行了研究,提出一种基于模糊蚁群的加权蛋白质复合物识别算法FAC-PC(algorithm for identifying weighted protein compl...针对蚁群融合FCM聚类算法在蛋白质相互作用网络中进行复合物识别的准确率不高、召回率较低以及时间性能不佳等问题进行了研究,提出一种基于模糊蚁群的加权蛋白质复合物识别算法FAC-PC(algorithm for identifying weighted protein complexes based on fuzzy ant colony clustering)。首先,融合边聚集系数与基因共表达的皮尔森相关系数构建加权网络;其次提出EPS(essential protein selection)度量公式来选取关键蛋白质,遍历关键蛋白质的邻居节点,设计蛋白质适应度PFC(protein fitness calculation)来获取关键组蛋白质,利用关键组蛋白质替换种子节点进行蚁群聚类,克服蚁群算法中因大量拾起放下和重复合并过滤操作而导致准确率较低和收敛速度过慢的缺陷;接着设计SI(similarity improvement)度量优化拾起放下概率来对节点进行蚁群聚类进而获得聚类数目;最后将关键蛋白质和通过蚁群聚类得到的聚类数目初始化FCM算法,设计隶属度更新策略来优化隶属度的更新,同时提出兼顾类内距和类间距的FCM迭代目标函数,最终利用改进的FCM完成复合物的识别。将FAC-PC算法应用在DIP数据上进行复合物的识别,实验结果表明FAC-PC算法的准确率和召回率较高,能够较准确地识别蛋白质复合物。展开更多
文摘蛋白质互作用网络是一种典型的复杂网络,呈现了明显的社区结构。网络中的社区对应于功能模块,通常被看作蛋白质复合物。蛋白质复合物识别对预测蛋白质功能,解释特定生物进程具有重要作用。基于种子节点扩展的图聚类方法在蛋白质复合物识别中应用广泛。针对此类算法最终结果受种子节点的影响较大,并且在簇的形成过程中搜索空间有限等问题,提出了一种基于遗传算法的蛋白质复合物识别算法GAGC(genetic algorithm based graph clustering),其中个体表示聚类结果(类别之间可能存在重叠节点),以F-measure值作为种群进化的目标函数。算法采用IPCA(improvement development clustering algorithm)算法产生初始种群;针对初始种群,设计了染色体对齐方式以进行交叉操作产生下一代种群。通过与DPClus、MCODE、IPCA、Cluster One、HC-PIN、CFinder等经典算法的对比实验表明,GAGC算法能够扩大图聚类算法的搜索空间,提高解的多样性,进而提高蛋白质复合物检测的性能。
基金Project supported by the Gansu Province Industrial Support Plan (Grant No.2023CYZC-25)the Natural Science Foundation of Gansu Province (Grant No.23JRRA770)the National Natural Science Foundation of China (Grant No.62162040)。
文摘Essential proteins are inseparable in cell growth and survival. The study of essential proteins is important for understanding cellular functions and biological mechanisms. Therefore, various computable methods have been proposed to identify essential proteins. Unfortunately, most methods based on network topology only consider the interactions between a protein and its neighboring proteins, and not the interactions with its higher-order distance proteins. In this paper, we propose the DSEP algorithm in which we integrated network topology properties and subcellular localization information in protein–protein interaction(PPI) networks based on four-order distances, and then used random walks to identify the essential proteins. We also propose a method to calculate the finite-order distance of the network, which can greatly reduce the time complexity of our algorithm. We conducted a comprehensive comparison of the DSEP algorithm with 11 existing classical algorithms to identify essential proteins with multiple evaluation methods. The results show that DSEP is superior to these 11 methods.
基金supported by the Cultivation Project of Clinical Research of Shanghai Shenkang Hospital Development Center (No.SHDC12018X30)the Natural Science Foundation of Shanghai Science and Technology Commission (No.19ZR1452100 and 20ZR 1459300)the Key Program of Yueyang Hospital of Shanghai University of Traditional Chinese Medicine (No.2019YYZ01)。
文摘Huosu Yangwei(HSYW) Formula is a traditioanl Chinese herbal medicine that has been extensively used to treat chronic atrophic gastritis, precancerous lesions of gastric cancer and advanced gastric cancer. However, the effective compounds of HSYW and its related anti-tumor mechanisms are not completely understood. In the current study, 160 ingredients of HSYW were identified and 64 effective compounds were screened by the ADMET evaluation. Furthermore, 64 effective compounds and 2579 potential targets were mapped based on public databases. Animal experiments demonstrated that HSYW significantly inhibited tumor growth in vivo. Transcriptional profiles revealed that 81 mRNAs were differentially expressed in HSYW-treated N87-bearing Balb/c mice. Network pharmacology and PPI network showed that 12 core genes acted as potential markers to evaluate the curative effects of HSYW. Bioinformatics and qRT-PCR results suggested that HSYW might regulate the mRNA expression of DNAJB4, CALD,AKR1C1, CST1, CASP1, PREX1, SOCS3 and PRDM1 against tumor growth in N87-bearing Balb/c mice.
基金supported by the Shenzhen KQTD Project(No.KQTD20200820113106007)China Scholarship Council(No.201906725017)+2 种基金the Collaborative Education Project of Industry-University cooperation of the Chinese Ministry of Education(No.201902098015)the Teaching Reform Project of Hunan Normal University(No.82)the National Undergraduate Training Program for Innovation(No.202110542004).
文摘Essential proteins play a vital role in biological processes,and the combination of gene expression profiles with Protein-Protein Interaction(PPI)networks can improve the identification of essential proteins.However,gene expression data are prone to significant fluctuations due to noise interference in topological networks.In this work,we discretized gene expression data and used the discrete similarities of the gene expression spectrum to eliminate noise fluctuation.We then proposed the Pearson Jaccard coefficient(PJC)that consisted of continuous and discrete similarities in the gene expression data.Using the graph theory as the basis,we fused the newly proposed similarity coefficient with the existing network topology prediction algorithm at each protein node to recognize essential proteins.This strategy exhibited a high recognition rate and good specificity.We validated the new similarity coefficient PJC on PPI datasets of Krogan,Gavin,and DIP of yeast species and evaluated the results by receiver operating characteristic analysis,jackknife analysis,top analysis,and accuracy analysis.Compared with that of node-based network topology centrality and fusion biological information centrality methods,the new similarity coefficient PJC showed a significantly improved prediction performance for essential proteins in DC,IC,Eigenvector centrality,subgraph centrality,betweenness centrality,closeness centrality,NC,PeC,and WDC.We also compared the PJC coefficient with other methods using the NF-PIN algorithm,which predicts proteins by constructing active PPI networks through dynamic gene expression.The experimental results proved that our newly proposed similarity coefficient PJC has superior advantages in predicting essential proteins.
基金Project supported by the National Natural Science Foundation of China(No.11172158)
文摘Duplication and divergence have been widely recognized as the two domi- nant evolutionary forces in shaping biological networks, e.g., gene regulatory networks and protein-protein interaction （PPI） networks. It has been shown that the network growth models constructed on the principle of duplication and divergence can recapture the topo- logical properties of real PPI networks. However, such network models only consider the evolution processes. How to select the model parameters with the real biological experi- mental data has not been presented. Therefore, based on the real PPI network statistical data, a yeast PPI network model is constructed. The simulation results indicate that the topological characteristics of the constructed network model are well consistent with those of real PPI networks, especially on sparseness, scale-free, small-world, hierarchical modularity, and disassortativity.
文摘针对蚁群融合FCM聚类算法在蛋白质相互作用网络中进行复合物识别的准确率不高、召回率较低以及时间性能不佳等问题进行了研究,提出一种基于模糊蚁群的加权蛋白质复合物识别算法FAC-PC(algorithm for identifying weighted protein complexes based on fuzzy ant colony clustering)。首先,融合边聚集系数与基因共表达的皮尔森相关系数构建加权网络;其次提出EPS(essential protein selection)度量公式来选取关键蛋白质,遍历关键蛋白质的邻居节点,设计蛋白质适应度PFC(protein fitness calculation)来获取关键组蛋白质,利用关键组蛋白质替换种子节点进行蚁群聚类,克服蚁群算法中因大量拾起放下和重复合并过滤操作而导致准确率较低和收敛速度过慢的缺陷;接着设计SI(similarity improvement)度量优化拾起放下概率来对节点进行蚁群聚类进而获得聚类数目;最后将关键蛋白质和通过蚁群聚类得到的聚类数目初始化FCM算法,设计隶属度更新策略来优化隶属度的更新,同时提出兼顾类内距和类间距的FCM迭代目标函数,最终利用改进的FCM完成复合物的识别。将FAC-PC算法应用在DIP数据上进行复合物的识别,实验结果表明FAC-PC算法的准确率和召回率较高,能够较准确地识别蛋白质复合物。
