Integrating network pharmacology, molecular docking and experimental verification to explore the therapeutic effect and potential mechanism of nomilin against triple-negative breas... by Zhixuan Wu, Haoyi Xiang, Xiaowu Wang, Rongrong Zhang, Yangyang Guo, Liangchen Qu, Jingyao Zhou, Yanyi Xiao

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Antioxidant Effect of Ethyl Acetate Fraction from <i>Kaempferia galanga</i> L.: Integrated Phytochemical Profiling, Network Analysis, and Experimental Validation by Siyu Wang, Jianzhan Yang, Lei Cai, Haoxiang Li, Xiaodong Han, Bo Liu, Jianwei Wu

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Integrated UPLC–MS/MS and UPLC–Q–TOF–MS/MS analysis to reveal pharmacokinetics, tissue distribution, metabolism, and excretion of sipeimine in rats by Hui Zong, Chongyang Wang, Dongdong He, Liting Liu, Juanjuan Wan, Guodong Wang, Dingtao Li, Jun Ran, Meiling Zhang, Hui Tang, Liping Wang

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Combined effects and potential mechanisms of phthalate metabolites on serum sex hormones among reproductive-aged women: An integrated epidemiology and computational toxicology stud... by Xiaoqian Li, Na Zheng, Wenhui Zhang, Yan Yu, Yunyang Li, Siyu Sun, Yining Ji, Sujing Wang

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Integrated identification of immune-related therapeutic targets for interstitial cystitis via multi-algorithm machine learning: transcriptomic profiling and in vivo experimental va... by Yifan Wang, Chuanzan Zhou, Facai Zhang, Yunkai Yang, Jia Miao, Xuanhan Hu, Xinyu Zhang, Alin Ji, Qi Zhang

“…Emerging evidence implicates immune microenvironment dysregulation in its pathogenesis, yet the identification of key driver genes and cross-omics integration remains underexplored.MethodsThis study integrated three transcriptomic datasets to identify immune-related gene modules via weighted gene co-expression network analysis (WGCNA). …”
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Integrated Analysis of the Anoikis‐Related Signature Identifies Rac Family Small GTPase 3 as a Novel Tumor‐Promoter Gene in Hepatocellular Carcinoma by Dong Wu, Ze‐Kun Liu, Ying Sun, Chu‐Heng Gou, Run‐Ze Shang, Meng Lu, Ren‐Yu Zhang, Hao‐Lin Wei, Can Li, Ying Shi, Cong Zhang, Yu‐Tong Wang, Ding Wei, Zhi‐Nan Chen, Huijie Bian

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Chrysin attenuates intervertebral disk degeneration via dual inhibition of matrix metalloproteinases and senescence: integrated network pharmacology, molecular docking, and experim... by Zeyu Pang, Zeyu Pang, Junxian Hu, Junxian Hu, Chen Zhao, Chen Zhao, Xiaoxiao Li, Xiaoxiao Li, Yibo Zhu, Yibo Zhu, Xiangwei Li, Xiangwei Li, Yiyang Wang, Yiyang Wang, Qiang Zhou, Qiang Zhou, Pei Li, Pei Li

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Phytochemical inhibition of quorum sensing and biofilm formation by Paederia foetida Linn. against multidrug-resistant Acinetobacter baumannii: An integrated in vitro and in silico... by Sirijan Santajit, Techit Thavorasak, Dararat Horpet, Thida Kong-ngoen, Uttapol Permpoon, Chul Young Kim, Tae-Gyu Nam, Nitaya Indrawattana

“…Disrupting QS and biofilm integrity using plant-derived compounds presents a promising alternative to traditional antibiotics. …”
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Identification of HMOX-1-Targeting Natural Compounds in <i>Camellia nitidissima</i> Chi for NSCLC Therapy: Integrating Bioassay and In Silico Screening Approaches by Lingqiu Zhang, Fan Zhang, Haimei Liang, Xiangling Qin, Chunmei Liang, Manlu Zhong, Yuemi Mo, Jinling Xie, Xiaotao Hou, Jiagang Deng, Erwei Hao, Zhengcai Du

“…The bioactive compounds were identified using UPLC-Q Exactive MS, and their binding affinity to HMOX-1 was evaluated via molecular docking and dynamics simulations, followed by cellular validation. …”
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Integration of pharmacophore-based virtual screening, molecular docking, ADMET analysis, and MD simulation for targeting EGFR: A comprehensive drug discovery study using commercial... by Abdullah R Alanzi, Ashaimaa Y Moussa, Mohammed S Alsalhi, Tayyab Nawaz, Ijaz Ali

“…This study employs an integrated approach to drug discovery, combining multiple computational methodologies to identify potential EGFR inhibitors. …”
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The functional insight into the genetics of cardiovascular disease: results from the post-GWAS study by L. O. Bryzgalov, E. E. Korbolina, I. S. Damarov, T. I. Merkulova

“…The effects on the transcription factor (TF) binding sites were explored by DeFine models. Functional pathway enrichment and protein– protein interaction (PPI) network analyses were performed on the targets and the extended genes by STRING and DAVID. …”
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Elevated SPARC Disrupts the Intestinal Barrier Integrity in Crohn's Disease by Interacting with OTUD4 and Activating the MYD88/NF‐κB Pathway by Jiayu Wang, Yuxin He, Xingchao Zhu, Jinghan Zhu, Zilin Deng, Huan Zhang, Yanjun Chen, Guangbo Zhang, Tongguo Shi, Weichang Chen

“…Mechanistically, it is elucidated that SPARC competitively binds to OTUD4 in conjunction with MYD88, facilitating the translocation of p65 from the cytoplasm to the nucleus and subsequent activation of the p65‐MLCK/MLC2 pathway, thereby compromising barrier integrity. …”
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Integrating immune library probing with structure-based computational design to develop potent neutralizing nanobodies against emerging SARS-CoV-2 variants by Lidia Cerdán, Katixa Silva, Daniel Rodríguez-Martín, Patricia Pérez, María A. Noriega, Ana Esteban Martín, Alfonso Gutiérrez-Adán, Yago Margolles, Juan A. Corbera, Miguel A. Martín-Acebes, Juan García-Arriaza, Juan Fernández-Recio, Luis A. Fernández, José M. Casasnovas

“…To generate antibodies (Abs) against SARS-CoV-2 emerging variants, we integrated multiple tools and engineered molecules with excellent neutralizing breadth and potency. …”
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Integrating network pharmacology, molecular docking and non-targeted serum metabolomics to illustrate pharmacodynamic ingredients and pharmacologic mechanism of Haizao Yuhu Decocti... by Wenbin Huang, Xiaoju Liu, Xingjia Li, Ruixiang Zhang, Guofang Chen, Guofang Chen, Xiaodong Mao, Shuhang Xu, Chao Liu, Chao Liu

“…They were mainly enriched in the biological processes of positive regulation of gene expression, positive regulation of MAPK cascade, signal transduction, protein phosphorylation, negative regulation of apoptotic process, positive regulation of protein kinase B signaling and positive regulation of MAP kinase activity; and molecular functions of identical protein binding, protein serine/threonine/tyrosine kinase activity, protein kinase activity, RNA polymerase II transcription factor activity, ligand-activated sequence-specific DNA binding and protein binding. …”
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Integrating machine learning and multi-omics analysis to unveil key programmed cell death patterns and immunotherapy targets in kidney renal clear cell carcinoma by Fanyan Ou, Yi Pan, Qiuli Chen, Lixiong Zeng, Kanglai Wei, Delin Liu, Qian Guo, Liquan Zhou, Jie Yang

“…HMOX1 and PIK3CG are common genes with stable binding to Carnosol and PROTAC, respectively, while SB505124 shows significant sensitivity to both PCD modes, suggesting potential therapeutic targets.…”
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Protective effect of fermented vegetable compounds against nonalcoholic fatty liver disease using metabolite profiling, integrated network pharmacology, and molecular docking appro... by Ermin Rachmawati, Larasati Sekar Kinasih, Nabila Rahmadani, Tias Pramesti Griana, Roihatul Muti’ah, Suharti Suharti, Dwiki Pramudika Abdul Azis, Endah Eni

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The Role of 13-Hydroxyoctadecadienoic Acid, 15-Lipoxygenase, and Peroxisome Proliferator-Activated Receptor Alpha Gene Polymorphism (rs1800206) in Acute Coronary Syndrome: Pathophy... by Abdullah Abdulsattar Raeef, Hassan H. Al-Saeed, Sami Mekhlif Mishlish

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The interdomain linker of AAV-2 Rep68 is an integral part of its oligomerization domain: role of a conserved SF3 helicase residue in oligomerization. by Francisco Zarate-Perez, Martino Bardelli, John W Burgner, Maria Villamil-Jarauta, Kanni Das, Demet Kekilli, Jorge Mansilla-Soto, R Michael Linden, Carlos R Escalante

“…The four Rep proteins of adeno-associated virus (AAV) orchestrate all aspects of its viral life cycle, including transcription regulation, DNA replication, virus assembly, and site-specific integration of the viral genome into the human chromosome 19. …”
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Fracture-healing effects of Rhizoma Musae ethanolic extract: An integrated study using UHPLC-Q-Exactive-MS/MS, network pharmacology, and molecular docking. by Jian Zhang, Wanyan Shen, Fanzhi Liu, Hehe He, Shuquan Han, Lina Luo

“…<h4>Background</h4>Fracture disrupts the integrity and continuity of the bone, leading to symptoms such as pain, tenderness, swelling, and bruising. …”
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Integrated network toxicology and bioinformatics reveal PFAS-driven prognostic biomarkers and molecular mechanisms in breast cancer: insights from transcriptome analysis and molecu... by Yingqiang Fu, Yiyang Liu, Ziqi Sui

“…Abstract Background Per- and polyfluoroalkyl substances (PFAS), pervasive environmental contaminants, are increasingly linked to breast cancer, yet their molecular mechanisms remain unclear. This study integrates network toxicology and bioinformatics to elucidate PFAS-associated pathways and prognostic biomarkers in breast cancer. …”
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