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Molecular Simulation Volume 34, 2008 - Issue 3
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Original Articles

Structure prediction and R115866 binding study of human CYP26A1: homology modelling, fold recognition, molecular docking and MD simulations

J.H. Ren School of Pharmaceutical Engineering, Shenyang Pharmaceutical University, Shenyang, P.R. China
,
X.Q. Xiong School of Pharmaceutical Engineering, Shenyang Pharmaceutical University, Shenyang, P.R. China
,
Y. Sha School of Pharmaceutical Engineering, Shenyang Pharmaceutical University, Shenyang, P.R. China
,
M.C. Yan School of Pharmaceutical Engineering, Shenyang Pharmaceutical University, Shenyang, P.R. China
,
B. Lin Structural and Computational Biology and Molecular Biophysics, Baylor College of Medicine, Houston, TX, USA
,
J. Wang School of Pharmaceutical Engineering, Shenyang Pharmaceutical University, Shenyang, P.R. China
,
Y.K. Jing Department of Medicine, Mount Sinai School of Medicine, New York, USA
,
D.M. Zhao School of Pharmaceutical Engineering, Shenyang Pharmaceutical University, Shenyang, P.R. China
&
M.S. Cheng School of Pharmaceutical Engineering, Shenyang Pharmaceutical University, Shenyang, P.R. ChinaCorrespondence[email protected]
 show all
Pages 337-346 | Received 31 Mar 2007, Accepted 19 Jan 2008, Published online: 16 May 2008

Citations (10)

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Tao Xu, Lujia Zhang, Xuedong Wang & Dongzhi Wei. (2010) A novel protocol of energy optimisation for predicted protein structures built by homology modelling. Molecular Simulation 36:13, pages 1104-1109.
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Articles from other publishers (9)

Nina Isoherranen & Guo Zhong. (2019) Biochemical and physiological importance of the CYP26 retinoic acid hydroxylases. Pharmacology & Therapeutics 204, pages 107400.
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Santhosh Kumar Nagarajan, Sathya Babu & Thirumurthy Madhavan. (2017) Theoretical analysis of somatostatin receptor 5 with antagonists and agonists for the treatment of neuroendocrine tumors. Molecular Diversity 21:2, pages 367-384.
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Sathya Babu, Santhosh Kumar Nagarajan, Sung Haeng Lee & Thirumurthy Madhavan. (2016) Structural characterization of human CRTh2: a combined homology modeling, molecular docking and 3D-QSAR-based in silico approach. Medicinal Chemistry Research 25:4, pages 653-671.
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Mohamed Awadalla, Thamir Alshammari, Leif Eriksson & Patricia Saenz-Méndez. (2016) Improved Homology Model of the Human all-trans Retinoic Acid Metabolizing Enzyme CYP26A1. Molecules 21:3, pages 351.
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Bin Sun, Kai Liu, Jing Han, Li-yu Zhao, Xiao Su, Bin Lin, Dong-Mei Zhao & Mao-Sheng Cheng. (2015) Design, synthesis, and biological evaluation of amide imidazole derivatives as novel metabolic enzyme CYP26A1 inhibitors. Bioorganic & Medicinal Chemistry 23:20, pages 6763-6773.
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Dongmei Zhao, Bin Sun, Jinhong Ren, Fengrong Li, Shuai Song, Xuejiao Lv, Chenzhou Hao & Maosheng Cheng. (2015) Synthesis and biological evaluation of 3-phenyl-3-aryl carboxamido propanoic acid derivatives as small molecule inhibitors of retinoic acid 4-hydroxylase (CYP26A1). Bioorganic & Medicinal Chemistry 23:6, pages 1356-1365.
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Fengrong Li, Dongmei Zhao, Jinhong Ren, Feiyue Hao, Guyue Liu, Shengfei Jin, Yongkui Jing & Maosheng Cheng. (2013) 2-(2-Methylfuran-3-carboxamido)-3-phenylpropanoic acid, a potential CYP26A1 inhibitor to enhance all-trans retinoic acid-induced leukemia cell differentiation based on virtual screening and biological evaluation. Bioorganic & Medicinal Chemistry 21:11, pages 3256-3261.
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Jakob A. Shimshoni, Arthur G. Roberts, Michele Scian, Ariel R. Topletz, Sean A. Blankert, James R. Halpert, Wendel L. Nelson & Nina Isoherranen. (2012) Stereoselective Formation and Metabolism of 4-Hydroxy-Retinoic Acid Enantiomers by Cytochrome P450 Enzymes. Journal of Biological Chemistry 287:50, pages 42223-42232.
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Jayne E. Thatcher, Brian Buttrick, Scott A. Shaffer, Jakob A. Shimshoni, David R. Goodlett, Wendel L. Nelson & Nina Isoherranen. (2011) Substrate Specificity and Ligand Interactions of CYP26A1, the Human Liver Retinoic Acid Hydroxylase. Molecular Pharmacology 80:2, pages 228-239.
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