个人简历

2004年毕业于沈阳药科大学，获理学学士学位，2009年于沈阳药科大学获药物化学博士学位，同年留校任教，2011年评为副教授，2019年评为教授。2012-2013年赴美国University of Arizona进行访问学者研究。作为课题负责人主持国家自然科学基金项目2项，辽宁省科技厅项目1项，辽宁省教育厅项目3项，沈阳药科大学科研专项基金2项，参与国家自然科学基金项目4项。发表SCI收载期刊论文180余篇。

研究领域

"""""计算机辅助药物设计\r
重大疾病创新药物研发（恶性肿瘤转移与耐药、慢性疼痛、糖尿病、抗病毒、神经保护）\r
天然产物靶标识别与候选药物成药性方法研究"

近期论文

Hao Wu, Ying Wang, Yupeng Zhang, Feng Xu, Jiepeng Chen, Lili Duan, Tingting Zhang, Jian Wang*, Fengjiao Zhang*. Breaking the vicious loop between inflammation, oxidative stress and coagulation, a novel anti-thrombus insight of nattokinase by inhibiting LPS-induced inflammation and oxidative stress. Redox Biology, in press. DOI: 10.1016/j.redox.2020.101500\r
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Hanxun Wang, Baichun Hu, Zisen Gao, Fengjiao Zhang, Jian Wang*. Emerging role of graphene oxide as sorbent for pesticides adsorption: experimental observations analyzed by molecular modeling. Journal of Materials Science & Technology. 2021, 63: 192-202. DOI: 10.1016/j.jmst.2020.02.033\r
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Guode Zhao, Xirong Tian, Jian Wang*, Maosheng Cheng*, Tianyu Zhang*, Zihou Wang. Structure-based virtual screening of non-benzofuran inhibitors against M. tuberculosis Pks13-TE for antituberculosis phenotypic discovery. New Journal of Chemistry, 2021, 45: 1286-1300. DOI: 10.1039/D0NJ03828H\r
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Zisen Gao, Baichun Hu, Hanxun Wang, Jian Wang and Mao-sheng Cheng. Computational Insights into the Sorption Mechanism of Environmental Contaminants by Carbon Nanoparticles through Molecular Dynamics Simulation and Density Functional Theory. Physical Chemistry Chemical Physics, 2020, 22, 27308 – 27319. DOI: 10.1039/D0CP03459B\r
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Hairui Wu, Xi Gu, Jinling Li, Mingxing Wang, Yanchun Li, Lei Yuan, Jian Wang*, Enlong Ma*. Identification of potential platelet-derived growth factor receptor α inhibitors by computational screening and binding simulations. Journal of Molecular Graphics and Modelling, 2020, 96: 107527. DOI: 10.1016/j.jmgm.2019.107527\r
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Jiaofeng Wu, Baichun Hu, Xiaozhu Sun, Huibin Wang, Yuzhou Huang, Yuting Zhang, Mengxi Liu, Yuting Liu, Yunli Zhao, Jian Wang*, Zhiguo Yu*. In silico study reveals existing drugs as α-glucosidase inhibitors: Structure-based virtual screening validated by experimental investigation. Journal of Molecular Structure, 2020, 2018,128532. DOI: 10.1016/j.molstruc.2020.128532\r
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Baichun Hu, Xiaoming Zheng, Ying Wang, Jian Wang*, Fengjiao Zhang*. Computational Approaches for Elucidating Protein-Protein Interactions in Cation Channel Signalingwards Highly Similar Protein Targets. Current Drug Targets，2020, 21(2):179-192. DOI: 10.2174/1389450120666190906154412\r
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Xia Wu, Yaru Shao, Baichun Hu, Jian Wang*, Xiaohong Hou*. Preparation and application of novel MIL-101(Cr) composite in liquid chromatographic separation of aromatic compounds: experimental and computational insights. Microchimica Acta 2020, 187(8). DOI: 10.1007/s00604-020-04458-6\r
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Ruijuan Li, Hanxun Wang, Jian Wang*, Maosheng Cheng. PB-10, a thiazolo[4,5-d] pyrimidine derivative, targets p21-activated kinase 4 in human colorectal cancer cells. Bioorganic & Medicinal Chemistry Letters, 2020, 30(2): 126807. https://doi.org/10.1016/j.bmcl.2019.126807.\r
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Hong-Yuan Lu, Nan Wang, Xiang Li, Yuan Huang, Jian Wang*, Qing-Chun Zhao*. Identification of New Potent Human Uncoupling Protein 1 (UCP1) Agonists Using Virtual Screening and In Vitro Approaches. Molecular Informatics. 2019, 38, 1900030. DOI: 10.1002/minf.201900030\r
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Jianping Mao, Wenbin Dai, Shuya Zhang, Lanlan Sun, Hanxun Wang, Yinli Gao, Jian Wang*, Fengjiao Zhang*. Quinone–thioether metabolites of hydroquinone play a dual role in promoting a vicious cycle of ROS generation: in vitro and in silico insights. Archives of Toxicology. 2019，93(5): 1-13. DOI:10.1007/s00204-019-02443-4.\r
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Ying Wang, Baichun Hu, Yusheng Peng, Xin Xiong, Wenhua Jing, Jian Wang*, Huiyuan Gao*. In Silico Exploration of the Molecular Mechanism of Cassane Diterpenoids on Anti-inflammatory and Immunomodulatory Activity. Journal of Chemical Information and Modeling, 2019, 59 (5), 2309-2323. DOI:10.1021/acs.jcim.8b00862.\r
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Pei-Lu Song, GangWang, YuanSua, Han-Xun Wang, JianWang*, FengLi*, Mao-ShengCheng*. Strategy and validation of a structure-based method for the discovery of selective inhibitors of PAK isoforms and the evaluation of their anti-cancer activity. Bioorganic Chemistry, 2019, 91. https://doi.org/10.1016/j.bioorg.2019.103168.\r
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Hanxun Wang, Zisen Gao, Peilu Song, Baichun Hu, Jian Wang*, Maosheng Cheng. Molecular Dynamics Simulation and QM/MM Calculation Reveals the Selectivity Mechanism of Type I 1/2 Kinase Inhibitors: The Effect of Intramolecular H-bonds and Conformational Restriction for Improved Selectivity. Physical Chemistry Chemical Physics, 2019, 21, 24147 - 24164. DOI: 10.1039/c9cp04353e\r
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Lei Yuan, Lei Sheng, Wenhui He, Chunyang Zou, Baichun Hu, Jun Liu, Wentao Ge,Yang Liu, Jian Wang*, Enlong Ma*. Discovery of novel cathepsin inhibitors with potent anti-metastatic effects in breast cancer cells. Bioorganic Chemistry 2018, 81: 672-680. DOI:10.1016/j.bioorg.2018.09.029