{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Li T"],"funding":["Natural Science Foundation of China (NSFC)","CAMS Innovation Fund for Medical Sciences (CIFMS) Grant"],"pagination":["1052"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC12299530"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["18(7)"],"pubmed_abstract":["<b>Background:</b> Huang Qin Decoction (HQD) is a well-established Traditional Chinese Medicine (TCM) formulation recognized for its application in the treatment of colorectal cancer (CRC). However, the precise therapeutic mechanisms remain inadequately defined. <b>Methods:</b> This study integrates metabolomics from a mouse model and network pharmacology to screen potential targets and bio-active ingredients of HQD. The pharmacological activity of HQD for CRC was evidenced via single-cell RNA sequencing (scRNA-seq), molecular docking, and molecular dynamics simulations. Atomic force microscopy (AFM) assays and cellular experimental validation were used to confirm the relative mechanisms. <b>Results:</b> The metabolite profile undergoes significant alterations, with metabolic reprogramming"],"journal":["Pharmaceuticals (Basel, Switzerland)"],"pubmed_title":["Integration of Untargeted Metabolomics, Network Pharmacology, Single-Cell RNA Sequencing, and Molecular Dynamics Simulation Reveals GOT1, CYP1A2, and CA2 as Potential Targets of Huang Qin Decoction Preventing Colorectal Cancer Liver Metastasis."],"pmcid":["PMC12299530"],"funding_grant_id":["81773750","2023-I2M-2-009"],"pubmed_authors":["Zhou M","Ren X","Zhang F","Yang L","Zhu Z","Yang M","Zhao W","Zeng Z","Zhou Y","Hou Y","Yan Z","Li T","Lv S"],"additional_accession":[]},"is_claimable":false,"name":"Integration of Untargeted Metabolomics, Network Pharmacology, Single-Cell RNA Sequencing, and Molecular Dynamics Simulation Reveals GOT1, CYP1A2, and CA2 as Potential Targets of Huang Qin Decoction Preventing Colorectal Cancer Liver Metastasis.","description":"<b>Background:</b> Huang Qin Decoction (HQD) is a well-established Traditional Chinese Medicine (TCM) formulation recognized for its application in the treatment of colorectal cancer (CRC). However, the precise therapeutic mechanisms remain inadequately defined. <b>Methods:</b> This study integrates metabolomics from a mouse model and network pharmacology to screen potential targets and bio-active ingredients of HQD. The pharmacological activity of HQD for CRC was evidenced via single-cell RNA sequencing (scRNA-seq), molecular docking, and molecular dynamics simulations. Atomic force microscopy (AFM) assays and cellular experimental validation were used to confirm the relative mechanisms. <b>Results:</b> The metabolite profile undergoes significant alterations, with metabolic reprogramming","dates":{"release":"2025-01-01T00:00:00Z","publication":"2025 Jul","modification":"2025-08-13T03:04:43.31Z","creation":"2025-08-13T03:04:43.31Z"},"accession":"S-EPMC12299530","cross_references":{"pubmed":["40732339"],"doi":["10.3390/ph18071052"]}}