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Journal of Receptors and Signal Transduction Volume 35, 2015 - Issue 6
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Research Article

Identification of ALK5 inhibitor via structure-based virtual screening and ADMET prediction

Aibin LinZhejiang Pharmaceutical College, Ningbo, China and Correspondence[email protected]
,
Zhongqi CaiZhejiang Pharmaceutical College, Ningbo, China and
,
Guoping HuState Key Laboratory on Lead Compound Research, WuXi AppTec Co. Ltd, Shanghai, China
&
Qiang LiState Key Laboratory on Lead Compound Research, WuXi AppTec Co. Ltd, Shanghai, China
Pages 559-564 | Received 28 Dec 2014, Accepted 19 Feb 2015, Published online: 04 Jun 2015

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Olivia Slater & Maria Kontoyianni. (2019) The compromise of virtual screening and its impact on drug discovery. Expert Opinion on Drug Discovery 14:7, pages 619-637.
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K. Anbarasu & S. Jayanthi. (2017) Designing and optimization of novel human LMTK3 inhibitors against breast cancer – a computational approach. Journal of Receptors and Signal Transduction 37:1, pages 51-59.
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Mohd Adnan, Saadgee KoliTaj Mohammad, Arif Jamal SiddiquiMitesh PatelNawaf AlshammariFevzi BardakciAbdelbaset Mohamed Elasbali & Md. Imtaiyaz Hassan. (2022) Searching for Novel Anaplastic Lymphoma Kinase Inhibitors: Structure-Guided Screening of Natural Compounds for a Tyrosine Kinase Therapeutic Target in Cancers. OMICS: A Journal of Integrative Biology 26:8, pages 461-470.
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Anbarasu Krishnan, Duraisami Dhamodharan, Thanigaivel Sundaram, Vickram Sundaram & Hun-Soo Byun. (2022) Computational discovery of novel human LMTK3 inhibitors by high throughput virtual screening using NCI database. Korean Journal of Chemical Engineering 39:6, pages 1368-1374.
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Huanglei Bi, Qin Ouyang, Zhao Wei & Zhibing Zheng. (2020) Design, synthesis and evaluation of novel nonquaternary and 3 non-oxime reactivators for acetylcholinesterase inhibited by organophosphates. Bioorganic Chemistry 100, pages 103902.
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Sheila C. Araujo, Vinicius G. Maltarollo, Michell O. Almeida, Leonardo L. G. Ferreira, Adriano D. Andricopulo & Kathia M. Honorio. (2020) Structure-Based Virtual Screening, Molecular Dynamics and Binding Free Energy Calculations of Hit Candidates as ALK-5 Inhibitors. Molecules 25:2, pages 264.
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Xiaolu Ye, Zhiying Pang & Ningwen Zhu. (2019) Dihydromyricetin attenuates hypertrophic scar formation by targeting activin receptor-like kinase 5. European Journal of Pharmacology 852, pages 58-67.
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Yifan Zhang, Jing Wang, Sizheng Zhou, Zhibo Xie, Chuandong Wang, Ya Gao, Jia Zhou, Xiaoling Zhang & Qingfeng Li. (2019) Flavones hydroxylated at 5, 7, 3′ and 4′ ameliorate skin fibrosis via inhibiting activin receptor-like kinase 5 kinase activity. Cell Death & Disease 10:2.
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Zhao Wei, Huanglei Bi, Yan-qin Liu, Hui-fang Nie, Lin Yao, Sheng-zheng Wang, Jun Yang, Yong-an Wang, Xueying Liu & Zhi-bing Zheng. (2018) Design, synthesis and evaluation of new classes of nonquaternary reactivators for acetylcholinesterase inhibited by organophosphates. Bioorganic Chemistry 81, pages 681-688.
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Zhao Wei, Yan-qin Liu, Sheng-zheng Wang, Lin Yao, Hui-fang Nie, Yong-an Wang, Xue-Ying Liu, Zhi-bing Zheng & Song Li. (2017) Conjugates of salicylaldoximes and peripheral site ligands: Novel efficient nonquaternary reactivators for nerve agent-inhibited acetylcholinesterase. Bioorganic & Medicinal Chemistry 25:16, pages 4497-4505.
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Lingxiao Wang, Feng Liu, Ning Jiang, Wenxia Zhou, Xinbo Zhou & Zhibing Zheng. (2016) Design, Synthesis, and Biological Evaluation of Novel PARP-1 Inhibitors Based on a 1H-Thieno[3,4-d] Imidazole-4-Carboxamide Scaffold. Molecules 21:6, pages 772.
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Zhao Wei, Yan-qin Liu, Yong-an Wang, Wan-hua Li, Xin-bo Zhou, Jian Zhao, Chun-qian Huang, Xing-zhou Li, Jia Liu, Zhi-bing Zheng & Song Li. (2016) Novel nonquaternary reactivators showing reactivation efficiency for soman-inhibited human acetylcholinesterase. Toxicology Letters 246, pages 1-6.
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