K
Kaixian Chen
Researcher at Chinese Academy of Sciences
Publications - 403
Citations - 11476
Kaixian Chen is an academic researcher from Chinese Academy of Sciences. The author has contributed to research in topics: Virtual screening & Chemistry. The author has an hindex of 47, co-authored 380 publications receiving 9209 citations. Previous affiliations of Kaixian Chen include Shanghai University & East China University of Science and Technology.
Papers
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Journal ArticleDOI
A New Approach to Design Virtual Combinatorial Library with Genetic Algorithm Based on 3D Grid Property
TL;DR: A novel idea to define molecular diversity based on three-dimensional grid force field properties including electric potential and steric potential parameters and demons is proposed.
Journal ArticleDOI
Combinatorial Pharmacophore-Based 3D-QSAR Analysis and Virtual Screening of FGFR1 Inhibitors
Nannan Zhou,Yuan Xu,Xian Liu,Yulan Wang,Jianlong Peng,Xiaomin Luo,Mingyue Zheng,Kaixian Chen,Hualiang Jiang +8 more
TL;DR: A combinatorial three-dimensional quantitative structure-activity relationship (3D-QSAR) model was developed based on previously reported FGFR1 inhibitors with diverse structural skeletons and 19 novel active compounds were successfully identified, which provide new chemical starting points for further structural optimization of FGFR 1 inhibitors.
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Identification of Novel Disruptor of Telomeric Silencing 1-like (DOT1L) Inhibitors through Structure-Based Virtual Screening and Biological Assays.
Shijie Chen,Shijie Chen,Linjuan Li,Linjuan Li,Yantao Chen,Junchi Hu,Jingqiu Liu,Yu-Chih Liu,Rongfeng Liu,Yuanyuan Zhang,Fanwang Meng,Kongkai Zhu,Junyan Lu,Mingyue Zheng,Kaixian Chen,Kaixian Chen,Jin Zhang,Hualiang Jiang,Hualiang Jiang,Zhiyi Yao,Cheng Luo +20 more
TL;DR: This study demonstrates the development of potent DOT1L inhibitors with novel scaffolds by combining structure-based virtual screening with biochemical analyses and predicted the binding modes of DC_L115 through molecular docking analysis and found that the inhibitor competitively occupies the binding site of S-adenosylmethionine.
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Novel fatty acid binding protein 4 (FABP4) inhibitors: virtual screening, synthesis and crystal structure determination.
Cai Haiyan,Qiufeng Liu,Dingding Gao,Ting Wang,Tiantian Chen,Guirui Yan,Kaixian Chen,Yechun Xu,He-Yao Wang,Yingxia Li,Weiliang Zhu +10 more
TL;DR: In silico, in vitro and crystallographic data provide useful hints for future development of novel inhibitors against FABP4, including compound m1, which is more active than endogenous ligand linoleic acid (LA) and could significantly reduce the levels of lipolysis on mouse 3T3-L1 adipocytes.
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A DFT study of Artemisinin and 1,2,4-trioxane
TL;DR: In this article, the authors compared the geometric parameters of 1,2,4-trioxane in boat/twist form with Artemisinin in both chair and boat-twisted form with 6-31G* basis sets.