{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,11,4]],"date-time":"2026-11-04T06:31:20Z","timestamp":1793773880281,"version":"4.6.1"},"reference-count":71,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2024,1,1]],"date-time":"2024-01-01T00:00:00Z","timestamp":1704067200000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2024,1,1]],"date-time":"2024-01-01T00:00:00Z","timestamp":1704067200000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"},{"start":{"date-parts":[[2024,1,1]],"date-time":"2024-01-01T00:00:00Z","timestamp":1704067200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-017"},{"start":{"date-parts":[[2024,1,1]],"date-time":"2024-01-01T00:00:00Z","timestamp":1704067200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2024,1,1]],"date-time":"2024-01-01T00:00:00Z","timestamp":1704067200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-012"},{"start":{"date-parts":[[2024,1,1]],"date-time":"2024-01-01T00:00:00Z","timestamp":1704067200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2024,1,1]],"date-time":"2024-01-01T00:00:00Z","timestamp":1704067200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-004"}],"funder":[{"DOI":"10.13039\/501100004607","name":"Natural Science Foundation of Guangxi Province","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100004607","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["82060627"],"award-info":[{"award-number":["82060627"]}],"id":[{"id":"10.13039\/501100001809","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":["European Journal of Medicinal Chemistry"],"published-print":{"date-parts":[[2024,1]]},"DOI":"10.1016\/j.ejmech.2023.115992","type":"journal-article","created":{"date-parts":[[2023,11,27]],"date-time":"2023-11-27T12:22:16Z","timestamp":1701087736000},"page":"115992","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":17,"special_numbering":"C","title":["Discovery of 4-aminophenylacetamide derivatives as intestine-specific farnesoid X receptor antagonists for the potential treatment of nonalcoholic steatohepatitis"],"prefix":"10.1016","volume":"264","author":[{"given":"Cong","family":"Chen","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Bing","family":"Zhang","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jiaojiao","family":"Tu","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yanfen","family":"Peng","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yihuan","family":"Zhou","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Xinping","family":"Yang","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8992-2578","authenticated-orcid":false,"given":"Qiming","family":"Yu","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Xiangduan","family":"Tan","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"78","reference":[{"key":"10.1016\/j.ejmech.2023.115992_bib1","doi-asserted-by":"crossref","DOI":"10.1016\/j.ejmech.2022.114605","article-title":"Discovery of novel human lactate dehydrogenase inhibitors: structure-based virtual screening studies and biological assessment","volume":"240","author":"Magno","year":"2022","journal-title":"Eur. J. Med. Chem."},{"key":"10.1016\/j.ejmech.2023.115992_bib2","doi-asserted-by":"crossref","first-page":"287","DOI":"10.1038\/s41392-022-01119-3","article-title":"Targeted therapeutics and novel signaling pathways in non-alcohol-associated fatty liver\/steatohepatitis (NAFL\/NASH)","volume":"7","author":"Xu","year":"2022","journal-title":"Signal. Transduct. Target. Ther."},{"key":"10.1016\/j.ejmech.2023.115992_bib3","doi-asserted-by":"crossref","first-page":"206","DOI":"10.2741\/4892","article-title":"Current treatment paradigms and emerging therapies for NAFLD\/NASH","volume":"26","author":"Raza","year":"2021","journal-title":"Front. Biosci."},{"key":"10.1016\/j.ejmech.2023.115992_bib4","doi-asserted-by":"crossref","first-page":"362","DOI":"10.1007\/s00535-017-1415-1","article-title":"Current and future pharmacological therapies for NAFLD\/NASH","volume":"53","author":"Sumida","year":"2018","journal-title":"J. Gastroenterol."},{"key":"10.1016\/j.ejmech.2023.115992_bib5","doi-asserted-by":"crossref","first-page":"2212","DOI":"10.1016\/S0140-6736(20)32511-3","article-title":"Non-alcoholic fatty liver disease","volume":"397","author":"Powell","year":"2021","journal-title":"Lancet"},{"key":"10.1016\/j.ejmech.2023.115992_bib6","doi-asserted-by":"crossref","first-page":"1335","DOI":"10.1097\/HEP.0000000000000004","article-title":"The global epidemiology of nonalcoholic fatty liver disease (NAFLD) and nonalcoholic steatohepatitis (NASH): a systematic review","volume":"77","author":"Younossi","year":"2023","journal-title":"Hepatology"},{"key":"10.1016\/j.ejmech.2023.115992_bib7","doi-asserted-by":"crossref","first-page":"379","DOI":"10.1055\/a-1877-9656","article-title":"Nonalcoholic steatohepatitis drug development pipeline: an update","volume":"42","author":"Chew","year":"2022","journal-title":"Semin. Liver Dis."},{"key":"10.1016\/j.ejmech.2023.115992_bib8","doi-asserted-by":"crossref","first-page":"1180","DOI":"10.1038\/s41401-022-00860-3","article-title":"Updates on novel pharmacotherapeutics for the treatment of nonalcoholic steatohepatitis","volume":"43","author":"Yang","year":"2022","journal-title":"Acta Pharmacol. Sin."},{"key":"10.1016\/j.ejmech.2023.115992_bib9","doi-asserted-by":"crossref","first-page":"8369","DOI":"10.1021\/acs.jmedchem.0c00618","article-title":"Design and structural optimization of dual FXR\/PPARdelta activators","volume":"63","author":"Schierle","year":"2020","journal-title":"J. Med. Chem."},{"key":"10.1016\/j.ejmech.2023.115992_bib10","doi-asserted-by":"crossref","first-page":"9363","DOI":"10.1021\/acs.jmedchem.3c00456","article-title":"Discovery of HPG1860, a structurally novel nonbile acid FXR agonist currently in clinical development for the treatment of nonalcoholic steatohepatitis","volume":"66","author":"Mo","year":"2023","journal-title":"J. Med. Chem."},{"key":"10.1016\/j.ejmech.2023.115992_bib11","doi-asserted-by":"crossref","first-page":"1087","DOI":"10.1038\/cr.2008.289","article-title":"FXR: a metabolic regulator and cell protector","volume":"18","author":"Wang","year":"2008","journal-title":"Cell Res."},{"key":"10.1016\/j.ejmech.2023.115992_bib12","doi-asserted-by":"crossref","first-page":"1671","DOI":"10.1016\/j.cmet.2021.06.012","article-title":"FXR activation protects against NAFLD via bile-acid-dependent reductions in lipid absorption","volume":"33","author":"Clifford","year":"2021","journal-title":"Cell Metab."},{"key":"10.1016\/j.ejmech.2023.115992_bib13","doi-asserted-by":"crossref","first-page":"856","DOI":"10.1016\/j.cmet.2017.03.007","article-title":"Farnesoid X receptor regulation of the NLRP3 inflammasome underlies cholestasis-associated sepsis","volume":"25","author":"Hao","year":"2017","journal-title":"Cell Metab."},{"key":"10.1016\/j.ejmech.2023.115992_bib14","doi-asserted-by":"crossref","first-page":"1632","DOI":"10.1002\/hep.22519","article-title":"Farnesoid X receptor antagonizes nuclear factor \u03baB in hepatic inflammatory response","volume":"48","author":"Wang","year":"2008","journal-title":"Hepatology"},{"key":"10.1016\/j.ejmech.2023.115992_bib15","doi-asserted-by":"crossref","first-page":"108","DOI":"10.1038\/nature13949","article-title":"Transcriptional regulation of autophagy by an FXR\u2013CREB axis","volume":"516","author":"Seok","year":"2014","journal-title":"Nature"},{"key":"10.1016\/j.ejmech.2023.115992_bib16","doi-asserted-by":"crossref","DOI":"10.1016\/j.mce.2022.111678","article-title":"Recent advances on FXR-targeting therapeutics","volume":"552","author":"Panzitt","year":"2022","journal-title":"Mol. Cell. Endocrinol."},{"key":"10.1016\/j.ejmech.2023.115992_bib17","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.ejmech.2023.115992_bib18","doi-asserted-by":"crossref","first-page":"361","DOI":"10.1042\/BST20210658","article-title":"Bile acid metabolism and FXR-mediated effects in human cholestatic liver disorders","volume":"50","author":"Molinaro","year":"2022","journal-title":"Biochem. Soc. Trans."},{"key":"10.1016\/j.ejmech.2023.115992_bib19","first-page":"S0168","article-title":"FXR agonists in NASH treatment","volume":"9","author":"Adorini","year":"2023","journal-title":"J. Hepatol."},{"key":"10.1016\/j.ejmech.2023.115992_bib20","doi-asserted-by":"crossref","first-page":"2148","DOI":"10.1016\/j.csbj.2021.04.029","article-title":"Farnesoid X receptor (FXR): structures and ligands","volume":"20","author":"Jiang","year":"2021","journal-title":"Comput. Struct. Biotechnol. J."},{"key":"10.1016\/j.ejmech.2023.115992_bib21","doi-asserted-by":"crossref","first-page":"95","DOI":"10.1093\/bmb\/ldaa006","article-title":"Obeticholic acid\u2014a new therapy in PBC and NASH","volume":"133","author":"Chapman","year":"2020","journal-title":"Br. Med. Bull."},{"key":"10.1016\/j.ejmech.2023.115992_bib22","doi-asserted-by":"crossref","first-page":"283","DOI":"10.1007\/164_2019_227","article-title":"Obeticholic acid: an update of its pharmacological activities in liver disorders","volume":"256","author":"Fiorucci","year":"2019","journal-title":"Handb. Exp. Pharmacol."},{"key":"10.1016\/j.ejmech.2023.115992_bib23","doi-asserted-by":"crossref","first-page":"536","DOI":"10.1016\/j.jhep.2021.10.029","article-title":"Non-invasive evaluation of response to obeticholic acid in patients with NASH: results from the REGENERATE study","volume":"76","author":"Rinella","year":"2022","journal-title":"J. hepatol."},{"key":"10.1016\/j.ejmech.2023.115992_bib24","doi-asserted-by":"crossref","first-page":"144","DOI":"10.1016\/j.metabol.2020.154144","article-title":"Obeticholic acid for the treatment of nonalcoholic steatohepatitis: expectations and concerns","volume":"104","author":"Polyzos","year":"2020","journal-title":"Metabolism"},{"key":"10.1016\/j.ejmech.2023.115992_bib25","doi-asserted-by":"crossref","first-page":"167","DOI":"10.1007\/164_2019_232","article-title":"Nonsteroidal FXR ligands: current status and clinical applications","volume":"256","author":"Gege","year":"2019","journal-title":"Handb. Exp. Pharmacol."},{"key":"10.1016\/j.ejmech.2023.115992_bib26","doi-asserted-by":"crossref","first-page":"2971","DOI":"10.1021\/jm0002127","article-title":"Identification of a chemical tool for the orphan nuclear receptor FXR","volume":"10","author":"Maloney","year":"2000","journal-title":"J. Med. Chem."},{"key":"10.1016\/j.ejmech.2023.115992_bib27","doi-asserted-by":"crossref","first-page":"392","DOI":"10.1038\/s41591-022-02200-8","article-title":"Tropifexor for nonalcoholic steatohepatitis: an adaptive, randomized, placebo-controlled phase 2a\/b trial","volume":"29","author":"Sanyal","year":"2023","journal-title":"Nat. Med."},{"key":"10.1016\/j.ejmech.2023.115992_bib28","doi-asserted-by":"crossref","first-page":"25","DOI":"10.1016\/j.jhep.2021.01.047","article-title":"A structurally optimized FXR agonist, MET409, reduced liver fat content over 12 weeks in patients with non-alcoholic steatohepatitis","volume":"75","author":"Harrison","year":"2021","journal-title":"J. Hepatol."},{"key":"10.1016\/j.ejmech.2023.115992_bib29","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1007\/s11883-015-0500-2","article-title":"FXR agonists as therapeutic agents for non-alcoholic fatty liver disease","volume":"17","author":"Carr","year":"2015","journal-title":"Curr. Atheroscler. Rep."},{"key":"10.1016\/j.ejmech.2023.115992_bib30","doi-asserted-by":"crossref","first-page":"17401","DOI":"10.1021\/acsomega.2c01567","article-title":"Discovery of 9,11-Seco-cholesterol derivatives as novel FXR antagonists","volume":"12","author":"Zhou","year":"2022","journal-title":"ACS Omega"},{"key":"10.1016\/j.ejmech.2023.115992_bib31","article-title":"Structure modification of FXR antagonistic chalcones and their inhibitory effects on NSCLC cell proliferation and metastasis","volume":"3","author":"Niu","year":"2022","journal-title":"ChemMedChem"},{"key":"10.1016\/j.ejmech.2023.115992_bib32","doi-asserted-by":"crossref","first-page":"126","DOI":"10.1016\/j.metabol.2018.03.016","article-title":"HS218 as an FXR antagonist suppresses gluconeogenesis by inhibiting FXR binding to PGC-1\u03b1 promoter","volume":"85","author":"Xu","year":"2018","journal-title":"Metabolism"},{"key":"10.1016\/j.ejmech.2023.115992_bib33","doi-asserted-by":"crossref","first-page":"765","DOI":"10.1080\/13543776.2018.1527906","article-title":"FXR modulators for enterohepatic and metabolic diseases","volume":"28","author":"Wang","year":"2018","journal-title":"Expert Opin. Ther. Pat."},{"key":"10.1016\/j.ejmech.2023.115992_bib34","doi-asserted-by":"crossref","first-page":"1703","DOI":"10.1126\/science.1072891","article-title":"A natural product that lowers cholesterol as an antagonist ligand for FXR","volume":"296","author":"Urizar","year":"2002","journal-title":"Science"},{"key":"10.1016\/j.ejmech.2023.115992_bib35","doi-asserted-by":"crossref","first-page":"1919","DOI":"10.1038\/s41591-018-0222-4","article-title":"Gut microbiota and intestinal FXR mediate the clinical benefits of metformin","volume":"24","author":"Sun","year":"2018","journal-title":"Nat. Med."},{"key":"10.1016\/j.ejmech.2023.115992_bib36","doi-asserted-by":"crossref","first-page":"2384","DOI":"10.1038\/ncomms3384","article-title":"Microbiome remodelling leads to inhibition of intestinal farnesoid X receptor signalling and decreased obesity","volume":"4","author":"Li","year":"2013","journal-title":"Nat. Commun."},{"key":"10.1016\/j.ejmech.2023.115992_bib37","doi-asserted-by":"crossref","first-page":"1398","DOI":"10.1016\/j.jhep.2014.12.034","article-title":"Ursodeoxycholic acid exerts farnesoid X receptor-antagonistic effects on bile acid and lipid metabolism in morbid obesity","volume":"62","author":"Mueller","year":"2015","journal-title":"J. Hepatol."},{"key":"10.1016\/j.ejmech.2023.115992_bib38","doi-asserted-by":"crossref","first-page":"1937","DOI":"10.1038\/ncomms2924","article-title":"The antiparasitic drug ivermectin is a novel FXR ligand that regulates metabolism","volume":"4","author":"Jin","year":"2013","journal-title":"Nat. Commun."},{"key":"10.1016\/j.ejmech.2023.115992_bib39","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.ejmech.2023.115992_bib40","doi-asserted-by":"crossref","first-page":"19888","DOI":"10.1074\/jbc.M114.630475","article-title":"Structural basis for small molecule NDB (N-benzyl-N-(3-(tert-butyl)-4-hydroxyphenyl)-2,6-dichloro-4-(dimethylamino) benzamide) as a selective antagonist of farnesoid X receptor alpha (FXRalpha) in stabilizing the homodimerization of the receptor","volume":"290","author":"Xu","year":"2015","journal-title":"J. Biol. Chem."},{"key":"10.1016\/j.ejmech.2023.115992_bib41","doi-asserted-by":"crossref","first-page":"7027","DOI":"10.1074\/jbc.M209863200","article-title":"Identification of gene-selective modulators of the bile acid receptor FXR","volume":"278","author":"Dussault","year":"2003","journal-title":"J. Biol. Chem."},{"key":"10.1016\/j.ejmech.2023.115992_bib42","doi-asserted-by":"crossref","first-page":"1335","DOI":"10.1016\/0300-9084(91)90098-L","article-title":"Ursodeoxycholic acid (UDCA) in the treatment of chronic cholestatic diseases","volume":"73","author":"Calmus","year":"1991","journal-title":"Biochimie"},{"key":"10.1016\/j.ejmech.2023.115992_bib43","doi-asserted-by":"crossref","first-page":"1520","DOI":"10.1111\/liv.13880","article-title":"Novel and emerging therapies for cholestatic liver diseases","volume":"38","author":"Goldstein","year":"2018","journal-title":"Liver Int."},{"key":"10.1016\/j.ejmech.2023.115992_bib44","doi-asserted-by":"crossref","first-page":"420","DOI":"10.1021\/acsmedchemlett.0c00640","article-title":"Discovery of orally active and nonsteroidal farnesoid X Receptor (FXR) antagonist with propensity for accumulation and responsiveness in ileum","volume":"12","author":"Teno","year":"2021","journal-title":"ACS Med. Chem. Lett."},{"key":"10.1016\/j.ejmech.2023.115992_bib45","doi-asserted-by":"crossref","first-page":"178","DOI":"10.1159\/000450908","article-title":"Intestinal farnesoid X receptor signaling modulates metabolic disease","volume":"35","author":"Gonzalez","year":"2017","journal-title":"Dig. Dis."},{"key":"10.1016\/j.ejmech.2023.115992_bib46","doi-asserted-by":"crossref","first-page":"162","DOI":"10.1016\/j.pharmthera.2018.06.009","article-title":"Progress and challenges of selective Farnesoid X Receptor modulation","volume":"191","author":"Massafra","year":"2018","journal-title":"Pharmacol. Ther."},{"key":"10.1016\/j.ejmech.2023.115992_bib47","doi-asserted-by":"crossref","DOI":"10.1097\/HC9.0000000000000127","article-title":"FXR and NASH: an avenue for tissue-specific regulation","volume":"7","author":"Henry","year":"2023","journal-title":"Hepatol. Commun."},{"key":"10.1016\/j.ejmech.2023.115992_bib48","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.ejmech.2023.115992_bib49","doi-asserted-by":"crossref","DOI":"10.1016\/j.ejps.2022.106324","article-title":"CADD, AI and ML in drug discovery: a comprehensive review","volume":"181","author":"Vemula","year":"2023","journal-title":"Eur. J. Pharm. Sci."},{"key":"10.1016\/j.ejmech.2023.115992_bib50","doi-asserted-by":"crossref","first-page":"85","DOI":"10.1007\/978-1-4939-6634-9_5","article-title":"Computer-aided drug design methods","volume":"1520","author":"Yu","year":"2017","journal-title":"Methods Mol. Biol."},{"key":"10.1016\/j.ejmech.2023.115992_bib51","doi-asserted-by":"crossref","first-page":"527","DOI":"10.1124\/pharmrev.120.000246","article-title":"Structure-based virtual screening for ligands of G protein-coupled receptors: what can molecular docking do for you?","volume":"73","author":"Ballante","year":"2021","journal-title":"Pharmacol. Rev."},{"key":"10.1016\/j.ejmech.2023.115992_bib52","doi-asserted-by":"crossref","first-page":"1751","DOI":"10.2174\/1568026619666190816101948","article-title":"Virtual screening techniques in drug discovery: review and recent applications","volume":"19","author":"da Silva Rocha","year":"2019","journal-title":"Curr. Top. Med. Chem."},{"key":"10.1016\/j.ejmech.2023.115992_bib53","doi-asserted-by":"crossref","first-page":"3149","DOI":"10.1039\/C9CP06303J","article-title":"Combined strategies in structure-based virtual screening","volume":"22","author":"Wang","year":"2020","journal-title":"Phys. Chem. Chem. Phys."},{"key":"10.1016\/j.ejmech.2023.115992_bib54","doi-asserted-by":"crossref","first-page":"2159","DOI":"10.1021\/ci6004299","article-title":"Validation studies of the site-directed docking program LibDock","volume":"47","author":"Rao","year":"2007","journal-title":"J. Chem. Inf. Model."},{"key":"10.1016\/j.ejmech.2023.115992_bib55","doi-asserted-by":"crossref","first-page":"1549","DOI":"10.1002\/jcc.10306","article-title":"Detailed analysis of grid-based molecular docking: a case study of CDOCKER-A CHARMm-based MD docking algorithm","volume":"24","author":"Wu","year":"2003","journal-title":"J. Comput. Chem."},{"key":"10.1016\/j.ejmech.2023.115992_bib56","doi-asserted-by":"crossref","first-page":"455","DOI":"10.1002\/jcc.21334","article-title":"Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading","volume":"31","author":"Trott","year":"2010","journal-title":"J. Comput. Chem."},{"key":"10.1016\/j.ejmech.2023.115992_bib57","doi-asserted-by":"crossref","first-page":"113","DOI":"10.1002\/1097-0134(20010501)43:2<113::AID-PROT1023>3.0.CO;2-T","article-title":"High throughput docking for library design and library prioritization","volume":"43","author":"Diller","year":"2001","journal-title":"Proteins"},{"key":"10.1016\/j.ejmech.2023.115992_bib58","doi-asserted-by":"crossref","first-page":"3891","DOI":"10.1021\/acs.jcim.1c00203","article-title":"AutoDock Vina 1.2.0: new docking methods, expanded force field, and Python bindings","volume":"61","author":"Eberhardt","year":"2021","journal-title":"J. Chem. Inf. Model."},{"key":"10.1016\/j.ejmech.2023.115992_bib59","doi-asserted-by":"crossref","first-page":"5146","DOI":"10.3390\/ijms23095146","article-title":"Lipotoxicity as the leading cause of non-alcoholic steatohepatitis","volume":"23","author":"Brankovi\u0107","year":"2022","journal-title":"Int. J. Mol. Sci."},{"key":"10.1016\/j.ejmech.2023.115992_bib60","doi-asserted-by":"crossref","first-page":"R193","DOI":"10.1530\/EJE-20-1410","article-title":"Mechanisms in endocrinology: FXR signalling: a novel target in metabolic diseases","volume":"184","author":"Sonne","year":"2021","journal-title":"Eur. J. Endocrinol."},{"key":"10.1016\/j.ejmech.2023.115992_bib61","doi-asserted-by":"crossref","first-page":"1391","DOI":"10.3390\/antiox11071391","article-title":"Taurine attenuates oxidized fish oil-induced oxidative stress and lipid metabolism disorder in mice","volume":"11","author":"Guo","year":"2022","journal-title":"Antioxidants (Basel)"},{"key":"10.1016\/j.ejmech.2023.115992_bib62","article-title":"Gastroprotective effect of hydroalcoholic extract from Agaricus blazei Murill against ethanol-induced gastric ulcer in mice","volume":"292","author":"Neto","year":"2022","journal-title":"J. Ethnopharmacol."},{"key":"10.1016\/j.ejmech.2023.115992_bib63","doi-asserted-by":"crossref","DOI":"10.1016\/j.ejmech.2023.115510","article-title":"Design, synthesis and anti-NASH effect evaluation of novel GFT505 derivatives in vitro and in vivo","volume":"257","author":"Xiang","year":"2023","journal-title":"Eur. J. Med. Chem."},{"key":"10.1016\/j.ejmech.2023.115992_bib64","doi-asserted-by":"crossref","first-page":"87","DOI":"10.3389\/fmolb.2017.00087","article-title":"Recent developments and applications of the MMPBSA method","volume":"4","author":"Wang","year":"2018","journal-title":"Front. Mol. Biosci."},{"key":"10.1016\/j.ejmech.2023.115992_bib65","doi-asserted-by":"crossref","first-page":"11","DOI":"10.1038\/nrgastro.2017.109","article-title":"Global burden of NAFLD and NASH: trends, predictions, risk factors and prevention","volume":"15","author":"Younossi","year":"2018","journal-title":"Nat. Rev. Gastroenterol. Hepatol."},{"key":"10.1016\/j.ejmech.2023.115992_bib66","doi-asserted-by":"crossref","first-page":"1030","DOI":"10.1053\/j.gastro.2021.04.074","article-title":"Preparing for the NASH epidemic: a call to action","volume":"161","author":"Kanwal","year":"2021","journal-title":"Gastroenterology"},{"key":"10.1016\/j.ejmech.2023.115992_bib67","doi-asserted-by":"crossref","first-page":"386","DOI":"10.1172\/JCI76738","article-title":"Intestinal farnesoid X receptor signaling promotes nonalcoholic fatty liver disease","volume":"125","author":"Jiang","year":"2015","journal-title":"J. Clin. Invest."},{"key":"10.1016\/j.ejmech.2023.115992_bib68","doi-asserted-by":"crossref","first-page":"754","DOI":"10.1111\/j.1872-034X.2011.00815.x","article-title":"Weight loss amelioration of non-alcoholic steatohepatitis linked to shifts in hepatic ceramide expression and serum ceramide levels","volume":"41","author":"Promrat","year":"2011","journal-title":"Hepatol. Res."},{"key":"10.1016\/j.ejmech.2023.115992_bib69","doi-asserted-by":"crossref","DOI":"10.1038\/ncomms10166","article-title":"Intestine-selective farnesoid X receptor inhibition improves obesity-related metabolic dysfunction","volume":"6","author":"Jiang","year":"2015","journal-title":"Nat. Commun."},{"key":"10.1016\/j.ejmech.2023.115992_bib70","doi-asserted-by":"crossref","first-page":"1205","DOI":"10.1002\/jcc.1078","article-title":"An improved GROMOS96 force field for aliphatic hydrocarbons in the condensed phase","volume":"22","author":"Schuler","year":"2001","journal-title":"J. Comput. Chem."},{"key":"10.1016\/j.ejmech.2023.115992_bib71","doi-asserted-by":"crossref","DOI":"10.1063\/5.0040966","article-title":"A compression strategy for particle mesh Ewald theory","volume":"154","author":"Simmonett","year":"2021","journal-title":"J. Chem. Phys."}],"container-title":["European Journal of Medicinal Chemistry"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0223523423009595?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0223523423009595?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2026,4,30]],"date-time":"2026-04-30T06:06:11Z","timestamp":1777529171000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0223523423009595"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2024,1]]},"references-count":71,"alternative-id":["S0223523423009595"],"URL":"https:\/\/doi.org\/10.1016\/j.ejmech.2023.115992","relation":{},"ISSN":["0223-5234"],"issn-type":[{"value":"0223-5234","type":"print"}],"subject":[],"published":{"date-parts":[[2024,1]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Discovery of 4-aminophenylacetamide derivatives as intestine-specific farnesoid X receptor antagonists for the potential treatment of nonalcoholic steatohepatitis","name":"articletitle","label":"Article Title"},{"value":"European Journal of Medicinal Chemistry","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.ejmech.2023.115992","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2023 Elsevier Masson SAS. All rights reserved.","name":"copyright","label":"Copyright"}],"article-number":"115992"}}