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Xenobiotica
the fate of foreign compounds in biological systems
Volume 37, 2007 - Issue 2
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Research Article

Comparative modelling of the human UDP-glucuronosyltransferases: Insights into structure and mechanism

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Pages 155-168 | Received 14 Aug 2006, Accepted 20 Nov 2006, Published online: 22 Sep 2008

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Satya Prakash Tripathi, Rameshwar Prajapati, Neha Verma & Abhay T. Sangamwar. (2016) Predicting substrate selectivity between UGT1A9 and UGT1A10 using molecular modelling and molecular dynamics approach. Molecular Simulation 42:4, pages 270-288.
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Satya Prakash Tripathi, Anuseema Bhadauriya, Abhijeet Patil & Abhay T. Sangamwar. (2013) Substrate selectivity of human intestinal UDP-glucuronosyltransferases (UGTs): in silico and in vitro insights. Drug Metabolism Reviews 45:2, pages 231-252.
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Anna Radominska-Pandya, Stacie M. Bratton, Matthew R. Redinbo & Michael J. Miley. (2010) The crystal structure of human UDP-glucuronosyltransferase 2B7 C-terminal end is the first mammalian UGT target to be revealed: the significance for human UGTs from both the 1A and 2B families. Drug Metabolism Reviews 42:1, pages 133-144.
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Articles from other publishers (28)

Balint Dudas & Maria A. Miteva. (2024) Computational and artificial intelligence-based approaches for drug metabolism and transport prediction. Trends in Pharmacological Sciences 45:1, pages 39-55.
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Anamika Sulekha, Michael J. Osborne, Jadwiga Gasiorek & Katherine L. B. Borden. (2023) 1H, 13C, 15N Backbone and sidechain chemical shift assignments of the C-terminal domain of human UDP-glucuronosyltransferase 2B17 (UGT2B17-C). Biomolecular NMR Assignments 17:1, pages 67-73.
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Xin-Fang Zhai, Jing-Jing Fan, Yang Yi, Meng Zhang, Xia Yuan, Xue Qiao, Lei Liang & Min Ye. (2023) Collaborative modification strategy to develop a highly selective fluorescent probe for human UDP-glucuronosyltransferase 1A10. Chemical Engineering Journal 463, pages 142382.
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Balint Dudas, Youcef Bagdad, Milan Picard, David Perahia & Maria A. Miteva. (2022) Machine learning and structure-based modeling for the prediction of UDP-glucuronosyltransferase inhibition. iScience 25:11, pages 105290.
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Mario Öeren, Peter J. WaltonJames SuriDavid J. Ponting, Peter A. Hunt & Matthew D. Segall. (2022) Predicting Regioselectivity of AO, CYP, FMO, and UGT Metabolism Using Quantum Mechanical Simulations and Machine Learning. Journal of Medicinal Chemistry 65:20, pages 14066-14081.
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Xiaolei Yang, Guanghao Zhu, Ying Zhang, Xubo Wu, Bei Liu, Ye Liu, Qing Yang, Wandi Du, Jingru Liang, Jiarong Hu, Ping Yang, Guangbo Ge, Weimin Cai & Guo Ma. (2022) Inhibition of Human UDP-Glucuronosyltransferases1A1–Mediated Bilirubin Glucuronidation by the Popular Flavonoids Baicalein, Baicalin, and Hyperoside Is Responsible for Herb (Shuang-Huang-Lian)-Induced Jaundice. Drug Metabolism and Disposition 50:5, pages 552-565.
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Hui-Lin Pang, Guang-Hao Zhu, Qi-Hang Zhou, Chun-Zhi Ai, Ya-Di Zhu, Ping Wang, Tong-Yi Dou, Yang-Liu Xia, Hong Ma & Guang-Bo Ge. (2022) Discovery and Characterization of the Key Constituents in Ginkgo biloba Leaf Extract With Potent Inhibitory Effects on Human UDP-Glucuronosyltransferase 1A1. Frontiers in Pharmacology 13.
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Qi‐Hang Zhou, Guang‐Hao Zhu, Yun‐Qing Song, Yuan‐Fang Que, Qing‐Qing He, Dong‐Zhu Tu, Hai‐Rong Zeng, Wei‐Wei Qin, Chun‐Zhi Ai & Guang‐Bo Ge. (2021) Methylophiopogonanone A is a naturally occurring broad‐spectrum inhibitor against human UDP‐glucuronosyltransferases: Inhibition behaviours and implication in herb‐drug interactions. Basic & Clinical Pharmacology & Toxicology 129:6, pages 437-449.
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Mario Öeren, Peter J. Walton, Peter A. Hunt, David J. Ponting & Matthew D. Segall. (2020) Predicting reactivity to drug metabolism: beyond P450s—modelling FMOs and UGTs. Journal of Computer-Aided Molecular Design 35:4, pages 541-555.
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Lin Zhang, Lijun Zhu, Wei Qu, Fang Wu, Ming Hu, Wei Xie, Zhongqiu Liu & Caiyan Wang. (2020) Insight into tartrate inhibition patterns in vitro and in vivo based on cocrystal structure with UDP-glucuronosyltransferase 2B15. Biochemical Pharmacology 172, pages 113753.
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Yutaka Takaoka, Atsuko Takeuchi, Aki Sugano, Kenji Miura, Mika Ohta, Takashi Suzuki, Daisuke Kobayashi, Takuji Kimura, Juichi Sato, Nobutaro Ban, Hisahide Nishio & Toshiyuki Sakaeda. (2019) Establishment of the experimental procedure for prediction of conjugation capacity in mutant UGT1A1. PLOS ONE 14:11, pages e0225244.
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Xia Lv, Jian‐Bin Zhang, Jie Hou, Tong‐Yi Dou, Guang‐Bo Ge, Wen‐Zhong Hu & Ling Yang. (2018) Chemical Probes for Human UDP‐Glucuronosyltransferases: A Comprehensive Review. Biotechnology Journal 14:1.
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Yusuke K. Kawai, Yoshinori Ikenaka, Mayumi Ishizuka & Akira Kubota. (2018) The evolution of UDP-glycosyl/glucuronosyltransferase 1E (UGT1E) genes in bird lineages is linked to feeding habits but UGT2 genes is not. PLOS ONE 13:10, pages e0205266.
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Yuejian Liu & Michael Coughtrie. (2017) Revisiting the Latency of Uridine Diphosphate-Glucuronosyltransferases (UGTs)—How Does the Endoplasmic Reticulum Membrane Influence Their Function?. Pharmaceutics 9:3, pages 32.
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Ling-Min Yuan, Zhang-Zhao Gao, Hong-Ying Sun, Sai-Nan Qian, Yong-Sheng Xiao, Lian-Li Sun & Su Zeng. (2016) Inter-isoform Hetero-dimerization of Human UDP-Glucuronosyltransferases (UGTs) 1A1, 1A9 and 2B7 and Impacts on Glucuronidation Activity. Scientific Reports 6:1.
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Giovanna Pannuzzo, Adriana Carol Eleonora Graziano, Martina Pannuzzo, Marcelo Fabricio Masman, Rosanna Avola & Venera Cardile. (2016) Zoledronate derivatives as potential inhibitors of uridine diphosphate‐galactose ceramide galactosyltransferase 8: A combined molecular docking and dynamic study. Journal of Neuroscience Research 94:11, pages 1318-1326.
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Ryoichi Fujiwara, Tsuyoshi Yokoi & Miki Nakajima. (2016) Structure and Protein–Protein Interactions of Human UDP-Glucuronosyltransferases. Frontiers in Pharmacology 7.
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Florent Di Meo, Gabin Fabre, Karel Berka, Tahani Ossman, Benjamin Chantemargue, Markéta Paloncýová, Pierre Marquet, Michal Otyepka & Patrick Trouillas. (2016) In silico pharmacology: Drug membrane partitioning and crossing. Pharmacological Research 111, pages 471-486.
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Yuki Kokawa, Naoki Kishi, Hideto Jinno, Toshiko Tanaka-Kagawa, Shizuo Narimatsu & Nobumitsu Hanioka. (2013) Effect of UDP-glucuronosyltransferase 1A8 polymorphism on raloxifene glucuronidation. European Journal of Pharmaceutical Sciences 49:2, pages 199-205.
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Porntipa Korprasertthaworn, Andrew Rowland, Benjamin C. Lewis, Peter I. Mackenzie, Krongtong Yoovathaworn & John O. Miners. (2012) Effects of amino acid substitutions at positions 33 and 37 on UDP-glucuronosyltransferase 1A9 (UGT1A9) activity and substrate selectivity. Biochemical Pharmacology 84:11, pages 1511-1521.
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Jing Yang, Lei Cai, Haiyan Huang, Bingya Liu & Qiang Wu. (2012) Genetic Variations and Haplotype Diversity of the UGT1 Gene Cluster in the Chinese Population. PLoS ONE 7:4, pages e33988.
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Baojian Wu, Kaustubh Kulkarni, Sumit Basu, Shuxing Zhang & Ming Hu. (2011) First-Pass Metabolism via UDP-Glucuronosyltransferase: a Barrier to Oral Bioavailability of Phenolics. Journal of Pharmaceutical Sciences 100:9, pages 3655-3681.
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Liisa Laakkonen & Moshe Finel. (2010) A Molecular Model of the Human UDP-Glucuronosyltransferase 1A1, Its Membrane Orientation, and the Interactions between Different Parts of the Enzyme. Molecular Pharmacology 77:6, pages 931-939.
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Oranun Kerdpin, Peter I. Mackenzie, Kushari Bowalgaha, Moshe Finel & John O. Miners. (2009) Influence of N-Terminal Domain Histidine and Proline Residues on the Substrate Selectivities of Human UDP-Glucuronosyltransferase 1A1, 1A6, 1A9, 2B7, and 2B10. Drug Metabolism and Disposition 37:9, pages 1948-1955.
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Ryoichi Fujiwara, Miki Nakajima, Tetsunori Yamamoto, Hidemi Nagao & Tsuyoshi Yokoi. (2009) In silico and in vitro Approaches to Elucidate the Thermal Stability of Human UDP-glucuronosyltransferase (UGT) 1A9. Drug Metabolism and Pharmacokinetics 24:3, pages 235-244.
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Bernard Testa & Stefanie D. Krämer. (2008) The Biochemistry of Drug Metabolism – An Introduction. Chemistry & Biodiversity 5:11, pages 2171-2336.
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James C. Sacco, Hans-Joachim Lehmler, Larry W. Robertson, Wenjun Li & Margaret O. James. (2008) Glucuronidation of Polychlorinated Biphenylols and UDP-Glucuronic Acid Concentrations in Channel Catfish Liver and Intestine. Drug Metabolism and Disposition 36:4, pages 623-630.
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Takahiro Kubota, Benjamin C. Lewis, David J. Elliot, Peter I. Mackenzie & John O. Miners. (2007) Critical Roles of Residues 36 and 40 in the Phenol and Tertiary Amine Aglycone Substrate Selectivities of UDP-Glucuronosyltransferases 1A3 and 1A4. Molecular Pharmacology 72:4, pages 1054-1062.
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