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Journal of Enzyme Inhibition and Medicinal Chemistry Volume 37, 2022 - Issue 1
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Research Papers

Design, synthesis, and biological evaluation of novel carbazole derivatives as potent DNMT1 inhibitors with reasonable PK properties

Ennian Lia Guangdong Provincial Key Laboratory of Clinical Research on Traditional Chinese Medicine Syndrome, The Second Clinical Medical College, Guangzhou University of Chinese Medicine, Guangzhou, ChinaView further author information
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Kai Wanga Guangdong Provincial Key Laboratory of Clinical Research on Traditional Chinese Medicine Syndrome, The Second Clinical Medical College, Guangzhou University of Chinese Medicine, Guangzhou, ChinaView further author information
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Bei Zhanga Guangdong Provincial Key Laboratory of Clinical Research on Traditional Chinese Medicine Syndrome, The Second Clinical Medical College, Guangzhou University of Chinese Medicine, Guangzhou, ChinaView further author information
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Siqi Guob State Key Laboratory of Drug Research, The Center for Chemical Biology, Drug Discovery and Design Center, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai, China;c School of Pharmacy, Nanchang University, Nanchang, ChinaView further author information
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Senhao Xiaob State Key Laboratory of Drug Research, The Center for Chemical Biology, Drug Discovery and Design Center, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai, ChinaView further author information
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Qi Pana Guangdong Provincial Key Laboratory of Clinical Research on Traditional Chinese Medicine Syndrome, The Second Clinical Medical College, Guangzhou University of Chinese Medicine, Guangzhou, ChinaView further author information
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Xiaowan Wanga Guangdong Provincial Key Laboratory of Clinical Research on Traditional Chinese Medicine Syndrome, The Second Clinical Medical College, Guangzhou University of Chinese Medicine, Guangzhou, ChinaView further author information
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Weiying Chena Guangdong Provincial Key Laboratory of Clinical Research on Traditional Chinese Medicine Syndrome, The Second Clinical Medical College, Guangzhou University of Chinese Medicine, Guangzhou, China;d Guangzhou Key Laboratory of Chirality Research on Active Components of Traditional Chinese Medicine, Guangzhou, ChinaView further author information
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Yunshan Wua Guangdong Provincial Key Laboratory of Clinical Research on Traditional Chinese Medicine Syndrome, The Second Clinical Medical College, Guangzhou University of Chinese Medicine, Guangzhou, China;d Guangzhou Key Laboratory of Chirality Research on Active Components of Traditional Chinese Medicine, Guangzhou, ChinaView further author information
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Hesong Xub State Key Laboratory of Drug Research, The Center for Chemical Biology, Drug Discovery and Design Center, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai, China;e School of Pharmaceutical Science and Technology, Hangzhou Institute for Advanced Study, University of Chinese Academy of Sciences, Hangzhou, ChinaView further author information
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Xiangqian Kongf Guangzhou Institute of Biomedicine and Health, Chinese Academy of Sciences, Guangzhou, ChinaCorrespondence[email protected]
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Cheng Luob State Key Laboratory of Drug Research, The Center for Chemical Biology, Drug Discovery and Design Center, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai, China;e School of Pharmaceutical Science and Technology, Hangzhou Institute for Advanced Study, University of Chinese Academy of Sciences, Hangzhou, ChinaView further author information
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Shijie Chenb State Key Laboratory of Drug Research, The Center for Chemical Biology, Drug Discovery and Design Center, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai, China;e School of Pharmaceutical Science and Technology, Hangzhou Institute for Advanced Study, University of Chinese Academy of Sciences, Hangzhou, ChinaCorrespondence[email protected]
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Bo Liua Guangdong Provincial Key Laboratory of Clinical Research on Traditional Chinese Medicine Syndrome, The Second Clinical Medical College, Guangzhou University of Chinese Medicine, Guangzhou, China;d Guangzhou Key Laboratory of Chirality Research on Active Components of Traditional Chinese Medicine, Guangzhou, China;g State Key Laboratory of Dampness Syndrome of Chinese Medicine, Guangzhou, China;h Guangdong-Hong Kong-Macau Joint Lab on Chinese Medicine and Immune Disease Research, Guangzhou University of Chinese Medicine, Guangzhou, ChinaCorrespondence[email protected] [email protected]
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Pages 1537-1555 | Received 12 Jan 2022, Accepted 15 May 2022, Published online: 07 Jun 2022

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Chandu Ala, Renuka Parshuram Joshi, Pragya Gupta, Sivaprakash Ramalingam & Murugesan Sankaranarayanan. (2023) Discovery of potent DNMT1 inhibitors against sickle cell disease using structural-based virtual screening, MM-GBSA and molecular dynamics simulation-based approaches. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-13.
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