{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,11,10]],"date-time":"2026-11-10T15:25:54Z","timestamp":1794324354050,"version":"4.9.0"},"reference-count":77,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2026,11,1]],"date-time":"2026-11-01T00:00:00Z","timestamp":1793491200000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2026,11,1]],"date-time":"2026-11-01T00:00:00Z","timestamp":1793491200000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"},{"start":{"date-parts":[[2026,11,1]],"date-time":"2026-11-01T00:00:00Z","timestamp":1793491200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-017"},{"start":{"date-parts":[[2026,11,1]],"date-time":"2026-11-01T00:00:00Z","timestamp":1793491200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2026,11,1]],"date-time":"2026-11-01T00:00:00Z","timestamp":1793491200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-012"},{"start":{"date-parts":[[2026,11,1]],"date-time":"2026-11-01T00:00:00Z","timestamp":1793491200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2026,11,1]],"date-time":"2026-11-01T00:00:00Z","timestamp":1793491200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-004"}],"funder":[{"DOI":"10.13039\/501100001321","name":"National Research Foundation","doi-asserted-by":"publisher","award":["RS-2024-00441423"],"award-info":[{"award-number":["RS-2024-00441423"]}],"id":[{"id":"10.13039\/501100001321","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100003052","name":"Korea Ministry of Trade Industry and Energy","doi-asserted-by":"publisher","award":["RS-2024-00468354"],"award-info":[{"award-number":["RS-2024-00468354"]}],"id":[{"id":"10.13039\/501100003052","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["International Journal of Biological Macromolecules"],"published-print":{"date-parts":[[2026,11]]},"DOI":"10.1016\/j.ijbiomac.2026.154248","type":"journal-article","created":{"date-parts":[[2026,8,27]],"date-time":"2026-08-27T16:42:07Z","timestamp":1787848927000},"page":"154248","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":0,"special_numbering":"P1","title":["Bidirectional and regiospecific C21-modification of steroids by a chloramphenicol O-acetyltransferase"],"prefix":"10.1016","volume":"381","author":[{"given":"Kamal Prasad","family":"Regmi","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Soeun","family":"Park","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Prakash","family":"Paudel","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Hye-Soo","family":"Park","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Woo-Haeng","family":"Lee","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Hwa-Jung","family":"Kim","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Hyun Ho","family":"Park","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Tae-Jin","family":"Oh","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"78","reference":[{"key":"10.1016\/j.ijbiomac.2026.154248_bb0005","doi-asserted-by":"crossref","first-page":"340","DOI":"10.1021\/acsbiomedchemau.1c00071","article-title":"A comprehensive review on steroidal bioconjugates as promising leads in drug discovery","volume":"2","author":"Bansal","year":"2022","journal-title":"ACS Bio Med. Chem. Au"},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0010","doi-asserted-by":"crossref","DOI":"10.1016\/j.biotechadv.2021.107860","article-title":"Mycolicibacterium cell factory for the production of steroid-based drug intermediates","volume":"53","author":"Zhao","year":"2021","journal-title":"Biotechnol. Adv."},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0015","doi-asserted-by":"crossref","first-page":"3559","DOI":"10.1039\/D4OB00327F","article-title":"Recent developments in the enzymatic modifications of steroid scaffolds","volume":"22","author":"Wang","year":"2024","journal-title":"Org. Biomol. Chem."},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0020","doi-asserted-by":"crossref","DOI":"10.1016\/j.ejmech.2020.113089","article-title":"Promising applications of steroid \u0441onjugates for cancer research and treatment","volume":"210","author":"Zolottsev","year":"2021","journal-title":"Eur. J. Med. Chem."},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0025","doi-asserted-by":"crossref","first-page":"436","DOI":"10.1016\/0165-6147(93)90184-L","article-title":"Anti-inflammatory actions of steroids: molecular mechanisms","volume":"14","author":"Barnes","year":"1993","journal-title":"Trends Pharmacol. Sci."},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0030","doi-asserted-by":"crossref","first-page":"2","DOI":"10.1016\/j.mce.2010.04.005","article-title":"The anti-inflammatory and immunosuppressive effects of glucocorticoids, recent developments and mechanistic insights","volume":"335","author":"Coutinho","year":"2011","journal-title":"Mol. Cell. Endocrinol."},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0035","doi-asserted-by":"crossref","first-page":"749","DOI":"10.30968\/rbfhss.2022.131.0749","article-title":"Effectiveness and safety of oral corticosteroids in the treatment of rheumatoid arthritis: a systematic review","volume":"13","author":"IWAMI","year":"2022","journal-title":"Rev. Bras. Farm. Hosp. Serv. Saude"},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0040","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1186\/s12985-024-02345-7","article-title":"Efficacy of different doses of corticosteroids in treating severe COVID-19 pneumonia","volume":"21","author":"zhang","year":"2024","journal-title":"Virol. J."},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0045","doi-asserted-by":"crossref","first-page":"563","DOI":"10.1038\/s41429-023-00634-x","article-title":"Rubensteroid A, a new steroid with antibacterial activity from Penicillium rubens AS-130","volume":"76","author":"Ying","year":"2023","journal-title":"J. Antibiot."},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0050","doi-asserted-by":"crossref","first-page":"52","DOI":"10.1016\/j.steroids.2019.02.012","article-title":"Novel antimicrobial agents\u2019 discovery among the steroid derivatives","volume":"144","author":"Nadaraia","year":"2019","journal-title":"Steroids"},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0055","doi-asserted-by":"crossref","DOI":"10.1021\/acsomega.4c08577","article-title":"Anticancer activities of natural and synthetic steroids: a review","author":"Mendoza Lara","year":"2025","journal-title":"ACS Omega"},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0060","doi-asserted-by":"crossref","first-page":"1291","DOI":"10.2174\/18715206113139990323","article-title":"Synthesis of novel steroid derivatives derived from dehydroepiandrosterone as potential anticancer agents","volume":"13","author":"Ke","year":"2013","journal-title":"Anticancer. Agents Med. Chem."},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0065","first-page":"1","article-title":"A biocatalytic hydroxylation-enabled unified approach to C19-hydroxylated steroids","volume":"10","author":"Wang","year":"2019","journal-title":"Nat. Commun."},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0070","doi-asserted-by":"crossref","first-page":"753","DOI":"10.1002\/anie.202012675","article-title":"Engineering regioselectivity of a P450 monooxygenase enables the synthesis of ursodeoxycholic acid via 7\u03b2-hydroxylation of lithocholic acid","volume":"60","author":"Grobe","year":"2021","journal-title":"Angewandte Chemie (International ed. in English)"},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0075","doi-asserted-by":"crossref","DOI":"10.1016\/j.heliyon.2024.e39777","article-title":"Functional characterization and unraveling the structural determinants of novel steroid hydroxylase CYP154C7 from Streptomyces sp. PAMC26508","volume":"10","author":"Paudel","year":"2024","journal-title":"Heliyon"},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0080","doi-asserted-by":"crossref","first-page":"12499","DOI":"10.1002\/anie.202003139","article-title":"Regio- and stereoselective steroid hydroxylation at C7 by cytochrome P450 monooxygenase mutants","volume":"59","author":"Li","year":"2020","journal-title":"Angew. Chem. Int. Ed. Engl."},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0085","doi-asserted-by":"crossref","first-page":"7531","DOI":"10.1021\/bi5011865","article-title":"Epoxidation activities of human cytochromes P450c17 and P450c21","volume":"53","author":"Yoshimoto","year":"2014","journal-title":"Biochemistry"},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0090","doi-asserted-by":"crossref","first-page":"8211","DOI":"10.1021\/acscatal.1c01479","article-title":"Enzymatic \u03b41-dehydrogenation of 3-ketosteroids-reconciliation of kinetic isotope effects with the reaction mechanism","volume":"11","author":"Glanowski","year":"2021","journal-title":"ACS Catal."},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0095","doi-asserted-by":"crossref","DOI":"10.1016\/j.bpc.2022.106875","article-title":"Insight into glucocorticoids glucosylation by glucosyltransferase: a combined experimental and in-silico approach","volume":"289","author":"Subedi","year":"2022","journal-title":"Biophys. Chem."},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0100","doi-asserted-by":"crossref","first-page":"981","DOI":"10.1016\/j.apsb.2018.04.006","article-title":"The enzymatic biosynthesis of acylated steroidal glycosides and their cytotoxic activity","volume":"8","author":"Liu","year":"2018","journal-title":"Acta Pharm. Sin. B"},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0105","doi-asserted-by":"crossref","DOI":"10.1002\/cbic.202300076","article-title":"Structural characterization and extended substrate scope analysis of two Mg2+-dependent O-methyltransferases from bacteria**","volume":"24","author":"Sokolova","year":"2023","journal-title":"ChemBioChem"},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0110","doi-asserted-by":"crossref","DOI":"10.1016\/j.jbc.2023.104841","article-title":"Processive kinetics in the three-step lanosterol 14\u03b1-demethylation reaction catalyzed by human cytochrome P450 51A1","volume":"299","author":"McCarty","year":"2023","journal-title":"J. Biol. Chem."},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0115","doi-asserted-by":"crossref","first-page":"447","DOI":"10.1210\/er.2018-00089","article-title":"Structural and functional biology of Aldo-keto reductase steroid-transforming enzymes","volume":"40","author":"Penning","year":"2019","journal-title":"Endocr. Rev."},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0120","doi-asserted-by":"crossref","DOI":"10.1002\/anie.202319624","article-title":"Biocatalytic steroidal 9\u03b1-hydroxylation and fragmentation enable the concise chemoenzymatic synthesis of 9,10-secosteroids","volume":"63","author":"Song","year":"2024","journal-title":"Angew. Chem. Int. Ed."},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0125","doi-asserted-by":"crossref","first-page":"6098","DOI":"10.1039\/C3CC49080G","article-title":"Synthesis of pharmaceutically relevant 17-\u03b1-amino steroids using an \u03c9-transaminase","volume":"50","author":"Richter","year":"2014","journal-title":"Chem. Commun."},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0130","doi-asserted-by":"crossref","first-page":"859","DOI":"10.1038\/s41586-023-06990-w","article-title":"Bile salt hydrolase catalyses formation of amine-conjugated bile acids","volume":"626","author":"Rimal","year":"2024","journal-title":"Nat"},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0135","doi-asserted-by":"crossref","first-page":"341","DOI":"10.1016\/j.bioorg.2004.06.005","article-title":"Enzymatic mechanisms for catalysis of enolization: ketosteroid isomerase","volume":"32","author":"Pollack","year":"2004","journal-title":"Bioorg. Chem."},{"issue":"20","key":"10.1016\/j.ijbiomac.2026.154248_bb0140","doi-asserted-by":"crossref","first-page":"410","DOI":"10.1038\/s41589-023-01526-9","article-title":"Host\u2013microbiome orchestration of the sulfated metabolome","volume":"204","author":"D\u2019Agostino","year":"2024","journal-title":"Nat. Chem. Biol."},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0145","doi-asserted-by":"crossref","first-page":"599","DOI":"10.1016\/j.steroids.2004.03.008","article-title":"Syntheses of acetylated steroid glycosides and selective cleavage of O-acetyl groups in sugar moiety","volume":"69","author":"Wang","year":"2004","journal-title":"Steroids"},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0150","doi-asserted-by":"crossref","first-page":"2059","DOI":"10.1021\/jo01030a535","article-title":"Acetylation of 17\u03b2-acetoxy-5\u03b1-androstan-3-one","volume":"29","author":"Fujimoto","year":"1964","journal-title":"J. Org. Chem."},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0155","doi-asserted-by":"crossref","first-page":"3065","DOI":"10.1016\/j.tet.2005.01.104","article-title":"Regioselective enzymatic acylation of vicinal diols of steroids","volume":"61","author":"Silva","year":"2005","journal-title":"Tetrahedron"},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0160","doi-asserted-by":"crossref","first-page":"6375","DOI":"10.1021\/jm200803d","article-title":"Selective cytotoxicity of oxysterols through structural modulation on rings A and B. Synthesis, in vitro evaluation, and SAR","volume":"54","author":"Carvalho","year":"2011","journal-title":"J. Med. Chem."},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0165","doi-asserted-by":"crossref","first-page":"7186","DOI":"10.1039\/D1OB01106E","article-title":"AmAT19, an acetyltransferase from: Astragalus membranaceus, catalyses specific 6 \u03b1 -OH acetylation for tetracyclic triterpenes and steroids","volume":"19","author":"Wang","year":"2021","journal-title":"Org. Biomol. Chem."},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0170","doi-asserted-by":"crossref","first-page":"12313","DOI":"10.3390\/molecules181012313","article-title":"Anti-plasmodial activity of some Zulu medicinal plants and of some triterpenes isolated from them","volume":"18","author":"Simelane","year":"2013","journal-title":"Mol"},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0175","doi-asserted-by":"crossref","first-page":"1928","DOI":"10.1002\/adsc.201401158","article-title":"Biocatalysis of Cycloastragenol by Syncephalastrum racemosum and Alternaria alternata to discover anti-aging derivatives","volume":"357","author":"Feng","year":"2015","journal-title":"Adv. Synth. Catal."},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0180","doi-asserted-by":"crossref","first-page":"60","DOI":"10.1016\/j.jsbmb.2007.11.008","article-title":"A test of rats\u2019 tolerance for 3\u03b2-acetoxyandrosta-1,5-dien-17-one ethylene ketal (ADEK), a new anti-androgen","volume":"111","author":"Lardy","year":"2008","journal-title":"J. Steroid Biochem. Mol. Biol."},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0185","doi-asserted-by":"crossref","DOI":"10.1016\/j.molstruc.2020.129167","article-title":"Synthesis, characterization and in silico screening of potential biological activity of 17\u03b1-ethynyl-3\u03b2, 17\u03b2, 19-trihydroxyandrost-5-en acetylated derivatives","volume":"1225","author":"Ochoa","year":"2021","journal-title":"J. Mol. Struct."},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0190","doi-asserted-by":"crossref","first-page":"7031","DOI":"10.1007\/s00253-023-12790-z","article-title":"Regioselective O-acetylation of various glucosides catalyzed by Escherichia coli maltose O-acetyltransferase","volume":"107","author":"Li","year":"2023","journal-title":"Appl. Microbiol. Biotechnol."},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0195","doi-asserted-by":"crossref","first-page":"125","DOI":"10.1080\/07388551.2021.1931015","article-title":"Catalytic function, mechanism, and application of plant acyltransferases","volume":"42","author":"Wang","year":"2022","journal-title":"Crit. Rev. Biotechnol."},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0200","doi-asserted-by":"crossref","first-page":"1670","DOI":"10.1002\/cbic.201500125","article-title":"Regioselective acetylation of C21 hydroxysteroids by the bacterial chloramphenicol acetyltransferase i","volume":"16","author":"Mosa","year":"2015","journal-title":"ChemBioChem"},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0205","doi-asserted-by":"crossref","DOI":"10.1016\/j.enzmictec.2022.110148","article-title":"Towards crucial post-modification in biosynthesis of terpenoids and steroids: C3 oxidase and acetyltransferase","volume":"162","author":"Chang","year":"2023","journal-title":"Enzyme Microb. Technol."},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0210","doi-asserted-by":"crossref","first-page":"5122","DOI":"10.1016\/S0021-9258(18)42739-1","article-title":"Acetyl coenzyme A binding by chloramphenicol acetyltransferase. Hydrophobic determinants of recognition and catalysis","volume":"267","author":"Day","year":"1992","journal-title":"J. Biol. Chem."},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0215","first-page":"406","article-title":"The neighbor-joining method: a new method for reconstructing phylogenetic trees","volume":"4","author":"Saitou","year":"1987","journal-title":"Mol. Biol. Evol."},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0220","doi-asserted-by":"crossref","first-page":"783","DOI":"10.1111\/j.1558-5646.1985.tb00420.x","article-title":"Confidence limits on phylogenies: an approach using the bootstrap","volume":"39","author":"Felsenstein","year":"1985","journal-title":"Evolution"},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0225","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1093\/molbev\/msae263","article-title":"MEGA12: molecular evolutionary genetic analysis version 12 for adaptive and green computing","volume":"41","author":"Kumar","year":"2024","journal-title":"Mol. Biol. Evol."},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0230","doi-asserted-by":"crossref","first-page":"105","DOI":"10.1007\/978-1-62703-646-7_6","article-title":"Clustal omega, accurate alignment of very large numbers of sequences","volume":"1079","author":"Sievers","year":"2014","journal-title":"Methods Mol. Biol."},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0235","doi-asserted-by":"crossref","first-page":"W320","DOI":"10.1093\/nar\/gku316","article-title":"Deciphering key features in protein structures with the new ENDscript server","volume":"42","author":"Robert","year":"2014","journal-title":"Nucleic Acids Res."},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0240","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":"2010","journal-title":"J. Comput. Chem."},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0245","doi-asserted-by":"crossref","first-page":"70","DOI":"10.1002\/pro.3943","article-title":"UCSF ChimeraX: structure visualization for researchers, educators, and developers","volume":"30","author":"Pettersen","year":"2021","journal-title":"Protein Sci."},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0250","doi-asserted-by":"crossref","first-page":"2785","DOI":"10.1002\/jcc.21256","article-title":"Software news and updates AutoDock4 and AutoDockTools4: automated docking with selective receptor flexibility","volume":"30","author":"Morris","year":"2009","journal-title":"J. Comput. Chem."},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0255","doi-asserted-by":"crossref","first-page":"2778","DOI":"10.1021\/ci200227u","article-title":"LigPlot+: multiple ligand\u2013protein interaction diagrams for drug discovery","volume":"51","author":"Laskowski","year":"2011","journal-title":"J. Chem. Inf. Model."},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0260","doi-asserted-by":"crossref","DOI":"10.1016\/j.abb.2025.110595","article-title":"Discovery of a novel CYP107E41 from Streptoalloteichus sp. KCCM40925 for advancing steroid hydroxylation catalysis","volume":"773","author":"Paudel","year":"2025","journal-title":"Arch. Biochem. Biophys."},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0265","doi-asserted-by":"crossref","first-page":"19","DOI":"10.1016\/j.softx.2015.06.001","article-title":"GROMACS: high performance molecular simulations through multi-level parallelism from laptops to supercomputers","volume":"1\u20132","author":"Abraham","year":"2015","journal-title":"SoftwareX"},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0270","doi-asserted-by":"crossref","first-page":"2135","DOI":"10.1002\/jcc.23354","article-title":"Charmm36 all-atom additive protein force field: validation based on comparison to NMR data","volume":"34","author":"Huang","year":"2013","journal-title":"J. Comput. Chem."},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0275","doi-asserted-by":"crossref","first-page":"671","DOI":"10.1002\/jcc.21367","article-title":"CHARMM General Force Field (CGenFF): a force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields","volume":"31","author":"Vanommeslaeghe","year":"2010","journal-title":"J. Comput. Chem."},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0280","doi-asserted-by":"crossref","first-page":"926","DOI":"10.1063\/1.445869","article-title":"Comparison of simple potential functions for simulating liquid water","volume":"79","author":"Jorgensen","year":"1983","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0285","doi-asserted-by":"crossref","first-page":"3684","DOI":"10.1063\/1.448118","article-title":"Molecular dynamics with coupling to an external bath","volume":"81","author":"Berendsen","year":"1984","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0290","doi-asserted-by":"crossref","first-page":"7182","DOI":"10.1063\/1.328693","article-title":"Polymorphic transitions in single crystals: a new molecular dynamics method","volume":"52","author":"Parrinello","year":"1981","journal-title":"J. Appl. Phys."},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0295","doi-asserted-by":"crossref","first-page":"R55","DOI":"10.1016\/S0969-2126(99)80033-1","article-title":"New tricks for modelers from the crystallography toolkit: the particle mesh Ewald algorithm and its use in nucleic acid simulations","volume":"7","author":"Darden","year":"1999","journal-title":"Structure"},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0300","doi-asserted-by":"crossref","first-page":"6281","DOI":"10.1021\/acs.jctc.1c00645","article-title":"gmx_MMPBSA: a new tool to perform end-state free EnergyCalculations with GROMACS","volume":"17","author":"Vald\u00e9s-Tresanco","year":"2021","journal-title":"J. Chem. Theory Comput."},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0305","doi-asserted-by":"crossref","first-page":"237","DOI":"10.1007\/978-1-61779-080-5_20","article-title":"Cell sensitivity assays: the MTT assay","volume":"731","author":"van Meerloo","year":"2011","journal-title":"Methods Mol. Biol."},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0310","doi-asserted-by":"crossref","first-page":"519","DOI":"10.1007\/s10930-020-09924-x","article-title":"Effect of metal ions on the activity of ten NAD-dependent formate dehydrogenases","volume":"39","author":"Bulut","year":"2020","journal-title":"Protein J."},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0315","doi-asserted-by":"crossref","first-page":"10037","DOI":"10.1073\/pnas.181342398","article-title":"Electrostatics of nanosystems: application to microtubules and the ribosome","volume":"98","author":"Baker","year":"2001","journal-title":"Proc. Natl. Acad. Sci. U. S. A."},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0320","doi-asserted-by":"crossref","first-page":"1144","DOI":"10.1126\/science.7761829","article-title":"Classical electrostatics in biology and chemistry","volume":"268","author":"Honig","year":"1995","journal-title":"Science (80-.)"},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0325","doi-asserted-by":"crossref","first-page":"167","DOI":"10.1016\/S0022-2836(05)80129-9","article-title":"Refined crystal structure of type III chloramphenicol acetyltransferase at 1\u00b775 \u00c5 resolution","volume":"213","author":"Leslie","year":"1990","journal-title":"J. Mol. Biol."},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0330","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1128\/AAC.41.1.1","article-title":"O-acetyltransferases for chloramphenicol and other natural products","volume":"41","author":"Murray","year":"1997","journal-title":"Antimicrob. Agents Chemother."},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0335","doi-asserted-by":"crossref","first-page":"520","DOI":"10.1002\/pro.2036","article-title":"The structural basis for substrate versatility of chloramphenicol acetyltransferase CATI","volume":"21","author":"Biswas","year":"2012","journal-title":"Protein Sci."},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0340","doi-asserted-by":"crossref","first-page":"61","DOI":"10.1107\/S2053230X23001206","article-title":"Structures of chloramphenicol acetyltransferase III and Escherichia coli \u03b2-ketoacylsynthase III co-crystallized with partially hydrolysed acetyl-oxa(dethia)CoA, Urn:Issn:2053-230X","author":"Benjamin","year":"2023","journal-title":"Acta Crystallogr. F Struct. Biol. Commun."},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0345","doi-asserted-by":"crossref","first-page":"4133","DOI":"10.1073\/pnas.85.12.4133","article-title":"Structure of chloramphenicol acetyltransferase at 1.75-A resolution","volume":"85","author":"Leslie","year":"1988","journal-title":"Proc. Natl. Acad. Sci. U. S. A."},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0350","series-title":"Crystal structure of Chloramphenicol acetyltransferase I complexed with Fusidic acid at 2.18 A resolution","author":"Roidis","year":"2004"},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0355","article-title":"Crystal structure of type A chloramphenicol acetyltransferase from Staphylococcus aureus at 1.8 angstrom resolution","author":"Wang","year":"2025","journal-title":"Worldw. Protein Data Bank"},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0360","doi-asserted-by":"crossref","first-page":"167","DOI":"10.1016\/S0022-2836(05)80129-9","article-title":"Refined crystal structure of type III chloramphenicol acetyltransferase at 1\u00b775 \u00c5 resolution","volume":"213","author":"Leslie","year":"1990","journal-title":"J. Mol. Biol."},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0365","doi-asserted-by":"crossref","first-page":"8620","DOI":"10.1074\/jbc.M113.543033","article-title":"Origin of the proton-transfer step in the cofactor-free (1H) -3-hydroxy-4-oxoquinaldine 2 , 4-dioxygenase effect of the basicity of an active site His residue *","volume":"289","author":"Hernandez-ortega","year":"2014","journal-title":"J. Biol. Chem."},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0370","doi-asserted-by":"crossref","first-page":"7493","DOI":"10.1021\/acsomega.4c08577","article-title":"Anticancer activities of natural and synthetic steroids: a review","volume":"10","author":"Mendoza Lara","year":"2025","journal-title":"ACS Omega"},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0375","doi-asserted-by":"crossref","first-page":"324","DOI":"10.1039\/C2NP20082A","article-title":"Anticancer steroids: linking natural and semi-synthetic compounds","volume":"30","author":"Salvador","year":"2013","journal-title":"Nat. Prod. Rep."},{"issue":"12","key":"10.1016\/j.ijbiomac.2026.154248_bb0380","doi-asserted-by":"crossref","first-page":"4360","DOI":"10.1038\/s41467-021-24537-3","article-title":"Glucocorticoid receptor triggers a reversible drug-tolerant dormancy state with acquired therapeutic vulnerabilities in lung cancer","volume":"121","author":"Prekovic","year":"2021","journal-title":"Nat. Commun."},{"key":"10.1016\/j.ijbiomac.2026.154248_bb0385","series-title":"Anticancer Activities of Natural and Synthetic Steroids: A Review","author":"Ram","year":"2025"}],"container-title":["International Journal of Biological Macromolecules"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0141813026041942?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0141813026041942?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2026,11,10]],"date-time":"2026-11-10T14:28:54Z","timestamp":1794320934000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0141813026041942"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,11]]},"references-count":77,"alternative-id":["S0141813026041942"],"URL":"https:\/\/doi.org\/10.1016\/j.ijbiomac.2026.154248","relation":{},"ISSN":["0141-8130"],"issn-type":[{"value":"0141-8130","type":"print"}],"subject":[],"published":{"date-parts":[[2026,11]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Bidirectional and regiospecific C21-modification of steroids by a chloramphenicol O-acetyltransferase","name":"articletitle","label":"Article Title"},{"value":"International Journal of Biological Macromolecules","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.ijbiomac.2026.154248","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2026 Elsevier B.V. All rights are reserved, including those for text and data mining, AI training, and similar technologies.","name":"copyright","label":"Copyright"}],"article-number":"154248"}}