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Drug Design, Development and Therapy Volume 7, 2013 - Issue
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Original Research

In silico identification of EGFR-T790M inhibitors with novel scaffolds: start with extraction of common features

Mingli Xiang1 The State Key Laboratory of Biotherapy, West China Hospital, West China Medical School, Sichuan University, Chengdu, People’s Republic of ChinaCorrespondence[email protected]
,
Kai Lei1 The State Key Laboratory of Biotherapy, West China Hospital, West China Medical School, Sichuan University, Chengdu, People’s Republic of China
,
Wenjie Fan1 The State Key Laboratory of Biotherapy, West China Hospital, West China Medical School, Sichuan University, Chengdu, People’s Republic of China
,
Yuchun Lin2 Department of Chemical and Biomolecular Engineering, University of California, Berkeley, CA, USA
,
Gu He1 The State Key Laboratory of Biotherapy, West China Hospital, West China Medical School, Sichuan University, Chengdu, People’s Republic of China
,
Mingli Yang3 Institute of Atomic and Molecular Physics, Sichuan University, Chengdu, People’s Republic of China
,
Lijuan Chen1 The State Key Laboratory of Biotherapy, West China Hospital, West China Medical School, Sichuan University, Chengdu, People’s Republic of China
&
Yirong Mo4 Department of Chemistry, Western Michigan University, Kalamazoo, MI, USA
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Pages 789-839 | Published online: 14 Aug 2013

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Can Chen, Ting Wang, Fengbo Wu, Wei Huang, Gu He, Liang Ouyang, Mingli Xiang, Cheng Peng & Qinglin Jiang. (2014) Combining structure-based pharmacophore modeling, virtual screening, and in silico ADMET analysis to discover novel tetrahydro-quinoline based pyruvate kinase isozyme M2 activators with antitumor activity. Drug Design, Development and Therapy 8, pages 1195-1210.
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Yingying Li, Jiale Peng, Penghua Li, Haibo Du, Yaping Li, Xingyong Liu, Li Zhang, Liang-Liang Wang & Zhili Zuo. (2019) Identification of potential AMPK activator by pharmacophore modeling, molecular docking and QSAR study. Computational Biology and Chemistry 79, pages 165-176.
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Ke-Jia Wu, Hai-Jing Zhong, Guodong Li, Chenfu Liu, Hui-Min David Wang, Dik-Lung Ma & Chung-Hang Leung. (2018) Structure-based identification of a NEDD8-activating enzyme inhibitor via drug repurposing. European Journal of Medicinal Chemistry 143, pages 1021-1027.
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Lei Chen, Jing Lu, Tao Huang & Yu-Dong Cai. (2017) A computational method for the identification of candidate drugs for non-small cell lung cancer. PLOS ONE 12:8, pages e0183411.
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Ruchi Mishra, Sarvesh Paliwal, Ankita Agarwal & Swapnil Sharma. (2016) Identification of Structurally Diverse Antimicrobials Through Sequential Application of Pharmacophore Modeling, Virtual Screening, Molecular Docking and In Vitro Microbiological Assay. Interdisciplinary Sciences: Computational Life Sciences 9:2, pages 332-340.
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Ruchi Mishra, Sarvesh Paliwal, Ankita Agarwal, Swapnil Sharma & Shailendra Paliwal. (2015) Discovery of a potent broad spectrum antimicrobial agent through pharmacophore modeling, virtual screening, in vitro antimicrobial evaluation and gastrointestinal permeation studies. Medicinal Chemistry Research 24:12, pages 4050-4057.
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Anupama Mittal, Sarvesh Paliwal, Mukta Sharma, Aarti Singh, Swapnil Sharma & Divya Yadav. (2014) Pharmacophore based virtual screening, molecular docking and biological evaluation to identify novel PDE5 inhibitors with vasodilatory activity. Bioorganic & Medicinal Chemistry Letters 24:14, pages 3137-3141.
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Pragya Misra & Shailza Singh. (2018) Role of Cytokines in Combinatorial Immunotherapeutics of Non-Small Cell Lung Cancer Through Systems Perspective. SSRN Electronic Journal.
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