{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,28]],"date-time":"2026-09-28T17:48:44Z","timestamp":1790617724429,"version":"4.1.0"},"reference-count":46,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2025,8,1]],"date-time":"2025-08-01T00:00:00Z","timestamp":1754006400000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2025,8,1]],"date-time":"2025-08-01T00:00:00Z","timestamp":1754006400000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"},{"start":{"date-parts":[[2025,8,1]],"date-time":"2025-08-01T00:00:00Z","timestamp":1754006400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-017"},{"start":{"date-parts":[[2025,8,1]],"date-time":"2025-08-01T00:00:00Z","timestamp":1754006400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2025,8,1]],"date-time":"2025-08-01T00:00:00Z","timestamp":1754006400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-012"},{"start":{"date-parts":[[2025,8,1]],"date-time":"2025-08-01T00:00:00Z","timestamp":1754006400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2025,8,1]],"date-time":"2025-08-01T00:00:00Z","timestamp":1754006400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-004"}],"funder":[{"DOI":"10.13039\/501100004607","name":"Guangxi Natural Science Foundation","doi-asserted-by":"publisher","award":["2024GXNSFAA010125"],"award-info":[{"award-number":["2024GXNSFAA010125"]}],"id":[{"id":"10.13039\/501100004607","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100013254","name":"National College Students Innovation and Entrepreneurship Training Program","doi-asserted-by":"publisher","award":["202310601030"],"award-info":[{"award-number":["202310601030"]}],"id":[{"id":"10.13039\/501100013254","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["82360678"],"award-info":[{"award-number":["82360678"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Bioorganic & Medicinal Chemistry Letters"],"published-print":{"date-parts":[[2025,8]]},"DOI":"10.1016\/j.bmcl.2025.130222","type":"journal-article","created":{"date-parts":[[2025,4,8]],"date-time":"2025-04-08T02:03:15Z","timestamp":1744077795000},"page":"130222","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":3,"special_numbering":"C","title":["Discovery of farnesoid X receptor antagonists from Salvia miltiorrhiza based on virtual screening and activity verification"],"prefix":"10.1016","volume":"123","author":[{"given":"Jiaojiao","family":"Tu","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Wa","family":"Cheng","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Zhenghu","family":"Ban","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jiayi","family":"Ning","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Xiangduan","family":"Tan","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"78","reference":[{"issue":"6","key":"10.1016\/j.bmcl.2025.130222_bb0005","doi-asserted-by":"crossref","first-page":"1829","DOI":"10.1007\/s00204-022-03266-6","article-title":"Farnesoid X receptor (FXR) agonists induce hepatocellular apoptosis and impair hepatic functions via FXR\/SHP pathway","volume":"96","author":"Zhang","year":"2022","journal-title":"Arch Toxicol"},{"issue":"5","key":"10.1016\/j.bmcl.2025.130222_bb0010","doi-asserted-by":"crossref","first-page":"1317","DOI":"10.1016\/j.jhep.2023.07.034","article-title":"FXR agonists in NASH treatment","volume":"79","author":"Adorini","year":"2023","journal-title":"J Hepatol"},{"issue":"4","key":"10.1016\/j.bmcl.2025.130222_bb0015","article-title":"Increased hepatoprotective effects of the novel farnesoid X receptor agonist INT-787 versus obeticholic acid in a mouse model of nonalcoholic steatohepatitis","volume":"19","author":"Avila","year":"2024","journal-title":"PLoS One"},{"issue":"5","key":"10.1016\/j.bmcl.2025.130222_bb0020","doi-asserted-by":"crossref","first-page":"1332","DOI":"10.1016\/j.jhep.2023.05.005","article-title":"Statistical perspectives on using hepatocellular carcinoma risk models to inform surveillance decisions","volume":"79","author":"Innes","year":"2023","journal-title":"J Hepatol"},{"issue":"5","key":"10.1016\/j.bmcl.2025.130222_bb0025","doi-asserted-by":"crossref","first-page":"1120","DOI":"10.1038\/s41401-021-00849-4","article-title":"FXR: structures, biology, and drug development for NASH and fibrosis diseases","volume":"43","author":"Tian","year":"2022","journal-title":"Acta Pharmacol Sin"},{"key":"10.1016\/j.bmcl.2025.130222_bb0030","doi-asserted-by":"crossref","DOI":"10.1007\/s00210-024-03204-6","article-title":"The gut-liver axis: emerging mechanisms and therapeutic approaches for nonalcoholic fatty liver disease and type 2 diabetes mellitus","author":"Bhardwaj","year":"2024","journal-title":"Naunyn Schmiedeberg\u2019s Arch Pharmacol"},{"issue":"5","key":"10.1016\/j.bmcl.2025.130222_bb0035","doi-asserted-by":"crossref","first-page":"1076","DOI":"10.1016\/j.jhep.2023.07.029","article-title":"Uniting to defeat steatotic liver disease: a global mission to promote healthy livers and healthy lives","volume":"79","author":"Krag","year":"2023","journal-title":"J Hepatol"},{"issue":"11","key":"10.1016\/j.bmcl.2025.130222_bb0040","article-title":"Screening for undiagnosed non-alcoholic fatty liver disease (NAFLD) and non-alcoholic steatohepatitis (NASH): a population-based risk factor assessment using vibration controlled transient elastography (VCTE)","volume":"16","author":"Tokuhara","year":"2021","journal-title":"PLoS One"},{"key":"10.1016\/j.bmcl.2025.130222_bb0045","first-page":"154","article-title":"A new perspective on NAFLD: focusing on the crosstalk between peroxisome proliferator-activated receptor alpha (PPAR\u03b1) and farnesoid X receptor (FXR)","author":"Zhou","year":"2022","journal-title":"Biomed Pharmacother"},{"key":"10.1016\/j.bmcl.2025.130222_bb0050","first-page":"757","article-title":"Role of FXR in the development of NAFLD and intervention strategies of small molecules","author":"Long","year":"2024","journal-title":"Arch Biochem Biophys"},{"key":"10.1016\/j.bmcl.2025.130222_bb0055","first-page":"175","article-title":"A current understanding of FXR in NAFLD: the multifaceted regulatory role of FXR and novel lead discovery for drug development","author":"Tang","year":"2024","journal-title":"Biomed Pharmacother"},{"key":"10.1016\/j.bmcl.2025.130222_bb0060","first-page":"13","article-title":"Obeticholic acid induces Hepatoxicity via FXR in the NAFLD mice","author":"Lin","year":"2022","journal-title":"Front Pharmacol"},{"issue":"5","key":"10.1016\/j.bmcl.2025.130222_bb0065","doi-asserted-by":"crossref","first-page":"2228","DOI":"10.1016\/j.apsb.2024.02.017","article-title":"A combined nanotherapeutic approach targeting farnesoid X receptor, ferroptosis, and fibrosis for nonalcoholic steatohepatitis treatment","volume":"14","author":"Fu","year":"2024","journal-title":"Acta Pharm Sin B"},{"issue":"2","key":"10.1016\/j.bmcl.2025.130222_bb0070","doi-asserted-by":"crossref","first-page":"413","DOI":"10.1124\/jpet.117.246033","article-title":"Farnesoid X receptor agonists Obeticholic acid and Chenodeoxycholic acid increase bile acid efflux in Sandwich-cultured human hepatocytes: functional evidence and mechanisms","volume":"365","author":"Guo","year":"2018","journal-title":"J Pharmacol Exp Ther"},{"issue":"3","key":"10.1016\/j.bmcl.2025.130222_bb0075","doi-asserted-by":"crossref","first-page":"506","DOI":"10.1016\/j.jhep.2021.10.018","article-title":"EDP-305 in patients with NASH: a phase II double-blind placebo-controlled dose-ranging study","volume":"76","author":"Ratziu","year":"2022","journal-title":"J Hepatol"},{"issue":"1","key":"10.1016\/j.bmcl.2025.130222_bb0080","doi-asserted-by":"crossref","first-page":"12","DOI":"10.1016\/j.jhep.2021.03.020","article-title":"FXR agonists for NASH: how are they different and what difference do they make?","volume":"75","author":"Kremoser","year":"2021","journal-title":"J Hepatol"},{"issue":"19","key":"10.1016\/j.bmcl.2025.130222_bb0085","doi-asserted-by":"crossref","first-page":"13452","DOI":"10.1021\/acs.jmedchem.2c01394","article-title":"Discovery of Betulinic acid derivatives as potent intestinal Farnesoid X receptor antagonists to ameliorate nonalcoholic steatohepatitis","volume":"65","author":"Zhang","year":"2022","journal-title":"J Med Chem"},{"key":"10.1016\/j.bmcl.2025.130222_bb0090","first-page":"119","article-title":"Mebhydrolin ameliorates glucose homeostasis in type 2 diabetic mice by functioning as a selective FXR antagonist","author":"Zhao","year":"2021","journal-title":"Metabolism"},{"key":"10.1016\/j.bmcl.2025.130222_bb0095","first-page":"264","article-title":"Discovery of 4-aminophenylacetamide derivatives as intestine-specific farnesoid X receptor antagonists for the potential treatment of nonalcoholic steatohepatitis","author":"Chen","year":"2024","journal-title":"Eur J Med Chem"},{"issue":"3","key":"10.1016\/j.bmcl.2025.130222_bb0100","doi-asserted-by":"crossref","first-page":"948","DOI":"10.1124\/mol.104.007054","article-title":"The Hypolipidemic natural product Guggulsterone is a promiscuous steroid receptor ligand","volume":"67","author":"Burris","year":"2005","journal-title":"Mol Pharmacol"},{"issue":"2","key":"10.1016\/j.bmcl.2025.130222_bb0105","doi-asserted-by":"crossref","DOI":"10.1038\/s41419-024-06495-y","article-title":"Farnesoid X receptor promotes non-small cell lung cancer metastasis by activating Jak2\/STAT3 signaling via transactivation of IL-6ST and IL-6 genes","volume":"15","author":"Jin","year":"2024","journal-title":"Cell Death Dis"},{"issue":"12","key":"10.1016\/j.bmcl.2025.130222_bb0110","doi-asserted-by":"crossref","first-page":"10214","DOI":"10.1074\/jbc.M209323200","article-title":"Guggulsterone is a Farnesoid X receptor antagonist in coactivator association assays but acts to enhance transcription of bile salt export pump","volume":"278","author":"Cui","year":"2003","journal-title":"J Biol Chem"},{"issue":"1","key":"10.1016\/j.bmcl.2025.130222_bb0115","doi-asserted-by":"crossref","first-page":"19","DOI":"10.1007\/s11030-018-9843-2","article-title":"Synthesis and biological evaluation of novel SIPI-7623 derivatives as farnesoid X receptor (FXR) antagonists","volume":"23","author":"Nian","year":"2018","journal-title":"Mol Divers"},{"issue":"8","key":"10.1016\/j.bmcl.2025.130222_bb0120","first-page":"572","article-title":"Hypolipidemic effect of SIPI-7623, a derivative of an extract from oriental wormwood, through farnesoid X receptor antagonism","volume":"16","author":"Deng","year":"2018","journal-title":"Chin J Nat Med"},{"key":"10.1016\/j.bmcl.2025.130222_bb0125","doi-asserted-by":"crossref","DOI":"10.1016\/j.molmet.2021.101274","article-title":"NAFLD - a rising metabolic disease","volume":"50","author":"Zeigerer","year":"2021","journal-title":"Mol Metab"},{"issue":"3","key":"10.1016\/j.bmcl.2025.130222_bb0130","doi-asserted-by":"crossref","DOI":"10.1016\/j.drudis.2024.103910","article-title":"NAFLD and NASH: etiology, targets and emerging therapies","volume":"29","author":"Wei","year":"2024","journal-title":"Drug Discov Today"},{"key":"10.1016\/j.bmcl.2025.130222_bb0135","doi-asserted-by":"crossref","first-page":"131","DOI":"10.1016\/j.jare.2023.02.007","article-title":"Bavachinin protects the liver in NAFLD by promoting regeneration via targeting PCNA","volume":"55","author":"Dong","year":"2024","journal-title":"J Adv Res"},{"key":"10.1016\/j.bmcl.2025.130222_bb0140","doi-asserted-by":"crossref","first-page":"2","DOI":"10.1016\/j.clnesp.2024.06.003","article-title":"Effects of Silybum marianum, Pueraria lobate, combined with Salvia miltiorrhiza tablets on non-alcoholic fatty liver disease in adults: a triple-blind, randomized, placebo-controlled clinical trial","volume":"63","author":"Li","year":"2024","journal-title":"Clinical Nutrition ESPEN"},{"key":"10.1016\/j.bmcl.2025.130222_bb0150","first-page":"9","article-title":"Salvia Miltiorrhiza ameliorates liver fibrosis by activating hepatic natural killer cells in vivo and in vitro","author":"Peng","year":"2018","journal-title":"Front Pharmacol"},{"key":"10.1016\/j.bmcl.2025.130222_bb0155","doi-asserted-by":"crossref","first-page":"149","DOI":"10.1016\/j.phymed.2018.09.176","article-title":"Screening of blood-activating active components from Danshen\u2013Honghua herbal pair by spectrum-effect relationship analysis","volume":"54","author":"Wang","year":"2019","journal-title":"Phytomedicine"},{"issue":"2","key":"10.1016\/j.bmcl.2025.130222_bb0160","doi-asserted-by":"crossref","DOI":"10.3390\/biomedicines12020279","article-title":"Synergistic differential DNA demethylation activity of Danshensu (Salvia miltiorrhiza) associated with different probiotics in nonalcoholic fatty liver disease","volume":"12","author":"Hassan","year":"2024","journal-title":"Biomedicines"},{"key":"10.1016\/j.bmcl.2025.130222_bb0165","first-page":"10","article-title":"Salvia miltiorrhiza in treating cardiovascular diseases: a review on its pharmacological and clinical applications","author":"Ren","year":"2019","journal-title":"Front Pharmacol"},{"issue":"9","key":"10.1016\/j.bmcl.2025.130222_bb0170","doi-asserted-by":"crossref","first-page":"1119","DOI":"10.1038\/aps.2012.126","article-title":"Pharmacological actions and therapeutic applications of Salvia miltiorrhiza depside salt and its active components","volume":"33","author":"Wu","year":"2012","journal-title":"Acta Pharmacol Sin"},{"key":"10.1016\/j.bmcl.2025.130222_bb0175","first-page":"14","article-title":"Recent developments in Salvia miltiorrhiza polysaccharides: isolation, purification, structural characteristics and biological activities","author":"Luo","year":"2023","journal-title":"Front Pharmacol"},{"issue":"13","key":"10.1016\/j.bmcl.2025.130222_bb0180","doi-asserted-by":"crossref","DOI":"10.3390\/ijms25137369","article-title":"Rapid screening of chemical components in Salvia miltiorrhiza with the potential to inhibit skin inflammation","volume":"25","author":"He","year":"2024","journal-title":"Int J Mol Sci"},{"key":"10.1016\/j.bmcl.2025.130222_bb0185","first-page":"111","article-title":"Salvianolic acid B ameliorates non-alcoholic fatty liver disease by inhibiting hepatic lipid accumulation and NLRP3 inflammasome in Ob\/Ob mice","author":"Meng","year":"2022","journal-title":"Int Immunopharmacol"},{"issue":"8","key":"10.1016\/j.bmcl.2025.130222_bb0190","doi-asserted-by":"crossref","DOI":"10.3390\/pr8080914","article-title":"Protective effects of active compounds from Salviae miltiorrhizae Radix against glutamate-induced HT-22 hippocampal neuronal cell death","volume":"8","author":"Phung","year":"2020","journal-title":"Processes"},{"key":"10.1016\/j.bmcl.2025.130222_bb0195","doi-asserted-by":"crossref","first-page":"1047","DOI":"10.1016\/j.bbrc.2020.10.039","article-title":"Structural basis of tropifexor as a potent and selective agonist of farnesoid X receptor","volume":"534","author":"Jiang","year":"2021","journal-title":"Biochem Biophys Res Commun"},{"issue":"14","key":"10.1016\/j.bmcl.2025.130222_bb0200","doi-asserted-by":"crossref","first-page":"6582","DOI":"10.1021\/jm300687e","article-title":"Directory of useful decoys, enhanced (DUD-E): better ligands and decoys for better benchmarking","volume":"55","author":"Mysinger","year":"2012","journal-title":"J Med Chem"},{"issue":"2","key":"10.1016\/j.bmcl.2025.130222_bb0205","doi-asserted-by":"crossref","first-page":"455","DOI":"10.1002\/jcc.21334","article-title":"AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading","volume":"31","author":"Trott","year":"2009","journal-title":"J Comput Chem"},{"key":"10.1016\/j.bmcl.2025.130222_bb0210","first-page":"263","article-title":"Exploring novel lead scaffolds for SGLT2 inhibitors: insights from machine learning and molecular dynamics simulations","author":"Yu","year":"2024","journal-title":"Int J Biol Macromol"},{"issue":"2","key":"10.1016\/j.bmcl.2025.130222_bb0215","doi-asserted-by":"crossref","first-page":"171","DOI":"10.1016\/j.toxlet.2005.07.001","article-title":"In vitro cytotoxicity assays: comparison of LDH, neutral red, MTT and protein assay in hepatoma cell lines following exposure to cadmium chloride","volume":"160","author":"Fotakis","year":"2006","journal-title":"Toxicol Lett"},{"issue":"3","key":"10.1016\/j.bmcl.2025.130222_bb0220","doi-asserted-by":"crossref","first-page":"453","DOI":"10.1016\/j.jpha.2021.09.007","article-title":"Highly sensitive electrochemical determination of rutin based on the synergistic effect of 3D porous carbon and cobalt tungstate nanosheets","volume":"12","author":"Feng","year":"2022","journal-title":"J Pharmaceutical Anal"},{"issue":"1","key":"10.1016\/j.bmcl.2025.130222_bb0225","doi-asserted-by":"crossref","DOI":"10.3390\/nano9010115","article-title":"Facile electrochemical sensor for Nanomolar Rutin detection based on magnetite nanoparticles and reduced graphene oxide decorated electrode","volume":"9","author":"He","year":"2019","journal-title":"Nanomaterials"},{"issue":"12","key":"10.1016\/j.bmcl.2025.130222_bb0230","doi-asserted-by":"crossref","first-page":"1935","DOI":"10.1038\/s41401-018-0086-7","article-title":"Human pharmacokinetics of ginkgo terpene lactones and impact of carboxylation in blood on their platelet-activating factor antagonistic activity","volume":"39","author":"Liu","year":"2018","journal-title":"Acta Pharmacol Sin"},{"key":"10.1016\/j.bmcl.2025.130222_bb0235","first-page":"13","article-title":"Study on the potential mechanism of Tonifying kidney and removing dampness formula in the treatment of postmenopausal dyslipidemia based on network pharmacology, molecular docking and experimental evidence","author":"Li","year":"2022","journal-title":"Front Endocrinol"}],"container-title":["Bioorganic & Medicinal Chemistry Letters"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0960894X25001313?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0960894X25001313?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2025,11,5]],"date-time":"2025-11-05T12:06:56Z","timestamp":1762344416000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0960894X25001313"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,8]]},"references-count":46,"alternative-id":["S0960894X25001313"],"URL":"https:\/\/doi.org\/10.1016\/j.bmcl.2025.130222","relation":{},"ISSN":["0960-894X"],"issn-type":[{"value":"0960-894X","type":"print"}],"subject":[],"published":{"date-parts":[[2025,8]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Discovery of farnesoid X receptor antagonists from Salvia miltiorrhiza based on virtual screening and activity verification","name":"articletitle","label":"Article Title"},{"value":"Bioorganic & Medicinal Chemistry Letters","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.bmcl.2025.130222","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2025 Elsevier Ltd. All rights are reserved, including those for text and data mining, AI training, and similar technologies.","name":"copyright","label":"Copyright"}],"article-number":"130222"}}