标题：杨胜勇
简历
杨胜勇，教授，博士生导师，1999年毕业于四川大学化学学院，获物理化学专业博士学位。1995年，新加坡南洋理工大学访问学者。1999年-2001年，香港科技大学化学系博士后。2003年1月-2005年10月，加拿大Calgary大学研究助理，同时兼任Bayer公司高级研究员。2005年10月通过985平台进入四川大学华西医院生物治疗国家重点实验室工作，主要从事药物分子设计方法、先导化合物优化、靶向药物设计、合成与开发等研究工作。主持了包括863、国家创新药物重大专项、国家自然科学基金、教育部新世纪优秀人才资助计划、四川省杰出青年基金等多项国家和省部级项目。至今已在包括Leukemia, J. Amer. Chem. Soc., Clinica Cancer Res., Drug Disc. Today, J. Med. Chem., Plos ONE, Proteins, J. Comput. Chem., Organometallics, J. Phys. Chem. A 等国内外重要期刊上发表SCI研究论文100余篇。曾获四川省科技进步奖一项。研究领域：计算机辅助药物分子设计；计算生物学。
任职
四川省药学会药物化学专委会 副主任委员
四川省肿瘤学会靶向治疗专委会 委员
《Pharmacology & Pharmacy》 编委
《J. Amer. Chem. Soc.》 特邀审稿人
《J. Med. Chem.》 特邀审稿人
《Proteins》 特邀审稿人
《J. Chem. Inf. Mod.》 特邀审稿人
《J. Theor. Comput. Chem.》 特邀审稿人
《Eur. J. Med. Chem.》 特邀审稿人
《Bioorg. Med. Chem. Lett.》 特邀审稿人
研究方向
(1) 新型抗肿瘤靶向药物的研发
(2) 新型治疗自身免疫性疾病药物的研发
(3) 先导化合物优化与合成研究
(4) 药物分子设计新方法研究
(5) 系统生物学
代表性论著
[1] Zhi-Xing Cao, Jing-Jing Liu, Ren-Lin Zheng, Jiao Yang, Lei Zhong, Yong Xu, Li-Jiao Wang, Chun-Hun Zhang, Bing-Lin Wang, Shuang Ma, Huan-Zhang Xie, Yu-Quan Wei, and Sheng-Yong Yang*. SKLB1028, a novel oral multikinase inhibitor of EGFR, FLT3 and Abl, displays exceptional activity in models of FLT3-driven AML and considerable potency in that of CML harboring Abl mutants. Leukemia, 2012. In press.
[2] Li WW, Wang XY, Zheng RL, Yan HX, Cao ZX, Zhong L, Wang ZR, Ji P, Yang LL, Wang LJ, Xu Y, Liu JJ, Yang J, Zhang CH, Ma S, Feng S, Sun QZ, Wei YQ, Yang SY*. Discovery of the Novel Potent and Selective FLT3 Inhibitor 1-{5-[7-(3- Morpholinopropoxy) quinazolin-4-ylthio]-[1,3,4] thiadiazol-2-yl} -3-p-tolylurea and Its Anti-Acute Myeloid Leukemia (AML) Activities in Vitro and in Vivo. J Med Chem. 2012, 55, 3852-3866.
[3] Youli Pan, Yong Xu, Shan Feng, Shidong Luo, Renlin Zheng, Jiao Yang, Lijiao Wang, Lei Zhong, Han-Yu Yang, Bing-Lin Wang, Yang Yu, Jingjing Liu, Zhixing Cao, Xiaoyan Wang, Pan Ji, Zerong Wang, Xin Chen, Shuang Zhang, Yu-Quan Wei, and Sheng-Yong Yang*. SKLB1206, a Novel Orally Available Multikinase Inhibitor Targeting EGFR Activating and T790M Mutants, ErbB2, ErbB4, and VEGFR2, Displays Potent Antitumor Activity both In vitro and In vivo. Mol Cancer Ther. 2012, 11(4), 952-962.
[4] Wan HL, Wang ZR, Li LL, Cheng C, Ji P, Liu JJ, Zhang H, Zou J, Yang SY*.Discovery of novel Bruton's tyrosine kinase (Btk) inhibitors using a hybrid protocol of virtual screening approaches based on SVM model, pharmacophore, and molecular docking. Chem Biol Drug Des. 2012. doi: 10.1111/j.1747-0285. 2012.01415.x.
[5] Di-Wu L, Li LL, Wang WJ, Xie HZ, Yang J, Zhang CH, Huang Q, Zhong L, Feng S, Yang SY*. Identification of CK2 inhibitors with new scaffolds by a hybrid virtual screening approach based on Bayesian model; pharmacophore hypothesis and molecular docking. J Mol Graph Model. 2012, 36, 42-47.
[6] Xiao-Yu Qing, Chun-Hui Zhang, Lin-Li Li, Pan Ji, Shuang Ma, Hua-Lin Wan, Ze-Rong Wang, Jun Zou, and Sheng-Yong Yang*. Retrieving Novel C5aR Antagonists using a Hybrid Ligand-based Virtual Screening Protocol based on SVM Classification and Pharmacophore Models. J Biomol Struct Dyn. 2012, in press.
[7] Zhong L, Ma CY, Zhang H, Yang LJ, Wan HL, Xie QQ, Li LL, Yang SY* A prediction model of substrates and non-substrates of breast cancer resistance protein (BCRP) developed by GA-CG-SVM method. Comput Biol Med. 2011 Nov;41(11):1006-13.
[8] Huang Q, Li LL, Yang SY*. RASA: a rapid retrosynthesis-based scoring method for the assessment of synthetic accessibility of drug-like molecules.J Chem Inf Model. 2011 Oct 24;51(10):2768-77.
[9] Zhou JP, Chen X, Feng S, Luo SD, Pan YL, Zhong L, Ji P, Wang ZR, Ma S, Li LL, Wei YQ, Yang SY* Systems Biology Modeling Reveals a Possible Mechanism of the Tumor Cell Death upon Oncogene Inactivation in EGFR Addicted Cancers.PLoS One. 2011;6(12):e28930.
[10]Ren JX, Li LL, Zheng RL, Xie HZ, Cao ZX, Feng S, Pan YL, Chen X, Wei YQ, Yang SY* Discovery of novel Pim-1 kinase inhibitors by a hierarchical multistage virtual screening approach based on SVM model, pharmacophore, and molecular docking. J Chem Inf Model. 2011 Jun 27;51(6):1364-75.
[11]Xie QQ, Zhong L, Pan YL, Wang XY, Zhou JP, Di-Wu L, Huang Q, Wang YL, Yang LL, Xie HZ, Yang SY* Combined SVM-based and docking-based virtual screening for retrieving novel inhibitors of c-Met. Eur J Med Chem. 2011, 46, 3675-3680.
[12]Zhang H, Li W, Xie Y, Wang WJ, Li LL, Yang SY*. Rapid and accurate assessment of seizure liability of drugs by using an optimal support vector machine method. Toxicol In Vitro. 2011,25,1848–1854.
[13]Xie HZ, Liu LY, Ren JX, Zhou JP, Zheng RL, Li LL, Yang SY*. Pharmacophore modeling and hybrid virtual screening for the discovery of novel IκB kinase 2 (IKK2) inhibitors. J Biomol Struct Dyn. 2011, 29(1):165-79.
[14]Dong X, Ebalunode JO, Yang SY, Zheng W. Receptor-based pharmacophore and pharmacophore key descriptors for virtual screening and QSAR modeling. Curr Comput Aided Drug Des. 2011 Sep 1;7(3):181-9.
[15]Zeng XF, Li WW, Fan HJ, Wang XY, Ji P, Wang ZR, Ma S, Li LL, Ma XF, Yang SY* Discovery of novel fatty acid synthase (FAS) inhibitors based on the structure of ketoaceyl synthase (KS) domain. Bioorg Med Chem Lett. 2011 Aug 15;21(16):4742-4.
[16]Guo-Bo Li, Ling-Ling Yang, Shan Feng, Jian-Ping Zhou, Qi Huang, Huan-Zhang Xie, Lin-Li Li, Sheng-Yong Yang*. Discovery of novel mGluR1 antagonists: A multistep virtual screening approach based on an SVM model and a pharmacophore hypothesis significantly increases the hit rate and enrichment factor. Bioorg Med Chem Lett. 2011 Jan 25. [Epub ahead of print]
[17]Jun Zou,Shi-Dong Luo,Yu-Quan Wei and Sheng-Yong Yang*, Integrated computational model of cell cycle and checkpoint reveals different essential roles of Aurora-A and Plk1 in mitotic entry. Mol. BioSyst., 2011, 7, 169–179
[18]Qi Huang, Lin-Li Li, Sheng-Yong Yang*. PhDD: A new pharmacophore-based de novo design method of drug-like molecules combined with assessment of synthetic accessibility. Journal of Molecular Graphics and Modelling. 2010, 28, 775-787.
[19]Wei-Wei Li, Jin-Juan Chen, Ren-Lin Zheng, Wen-Qin Zhang, Zhi-Xing Cao, Ling-Ling Yang, Xiao-Yu Qing, Liang-Xue Zhou, Li Yang, Luo-Ding Yu, Li-Juan Chen, Yu-Quan Wei, and Sheng-Yong Yang*. Taking quinazoline as a general support-nog to design potent and selective kinase inhibitors: application to FMS-like tyrosine kinase 3. ChemMedChem. 2010, 5, 513-516.
[20]Sheng-Yong Yang*. Pharmacophore modeling and applications in drug discovery: challenges and recent advances. Drug Discovery Today. 2010, 15, 444-450.
[21]Li-Jun Yang, Jun Zou, Huan-Zhang Xie, Lin-Li Li, Yu-Quan Wei, Sheng-Yong Yang*. Steered molecular dynamics simulations reveal the likelier dissociation pathway of imatinib from its targeting kinases c-Kit and Abl. PLOS One. 2009, 4, e8470.
[22]Ji-Xia Ren, Lin-Li Li, Jun Zou, Li Yang, Jin-Liang Yang, Sheng-Yong Yang*. Pharmacophore modeling and virtual screening for the discovery of new transforming growth factor-b type I receptor (ALK5) inhibitors. European Journal of Medicinal Chemistry. 2009, 44, 4259-4265.
[23]Huan-Zhang Xie, Lin-Li Li, Ji-Xia Ren, Jun Zou, Yu-Quan Wei, and Sheng-Yong Yang*. Pharmacophore modeling study based on known spleen tyrosine kinase inhibitors together with virtual screening for identifying novel inhibitors. Bioorganic & Medicinal Chemistry Letters. 2009, 19, 1944-1949.
[24]Jin-Juan Chen, Ting-Lin Liu, Li-Jun Yang, Lin-Li Li, Yu-Quan Wei and Sheng-Yong Yang*. Pharmacophore modeling and virtual screening studies of checkpoint kinase 1 inhibitors. Chem. Pharm. Bull. 2009, 57, 704-709.
[25]Sheng-Yong Yang*, Qi Huang, Lin-Li Li, Chang-Ying Ma, Hui Zhang, Ru Bai, Qi-Zhi Teng, Ming-Li Xiang, Yu-Quan Wei. An integrated scheme for feature selection and parameter setting in the support vector machine modeling and its application to the prediction of pharmacokinetic properties of drugs. Artificial Intelligence in Medicine. 2009, 46, 155-163.
[26]Hui Zhang, Ming-Li Xiang, Chang-Ying Ma, Qi Huang, Wei Li, Yang Xie, Yu-Quan Wei, Sheng-Yong Yang*. Three-class classification models of logS and logP derived by using GA-CG-SVM approach. Molecular Diversity. 2009, 13, 261-268.
[27]Lijun Yang, Ruo Jia, Sheng-Yong Yang*. Influence of the solvent water molecules at the active site of CDK2 on the binding free energy of CDK2-ligand complexes: an MM/PBSA study. Acta Chimica Sinica. 2009, 67, 255-260.
[28]Hui Zhang, Qing-Yi Chen, Ming-Li Xiang, Chang-Ying Ma, Qi Huang and Sheng-Yong Yang*. In silico prediction of mitochondrial toxicity by using GA-CG-SVM approach. Toxicity in vitro, 2009, 23, 134–140.
[29]Hui-Yuan Wang, Lin-Li Li, Zhi-Xing Cao, Shi-Dong Luo, Yu-Quan Wei and Sheng-Yong Yang*. A specific pharmacophore model of Aurora B kinase inhibitors and virtual screening studies based on it. Chemical Biology & Drug Design. 2009, 73(1), 115-126.
[30]Ting-lin Liu, Huan-zhang Xie, Yu-quan Wei, Sheng-Yong Yang*. Exploring the feasibility of application of reverse docking method to the selectivity studies of protein kinase inhibitors.Acta Pharmaceutica Sinica. 2009, 44(7), 758-763.
[31]Qing-Qing Xie, Huan-Zhang Xie, Jie-Xia Ren, Lin-Li Li, and Sheng-Yong Yang*. Pharmacophore modeling studies of type I and type II kinase inhibitors of Tie2. Journal of Molecular Graphics and Modelling. 2009, 27, 751–758.
[32]Hui Zhang, Ming-Li Xiang, Ying-Lan Zhao, Yu-Quan Wei and Sheng-Yong Yang*. Support vector machine and pharmacophore-based prediction models of multidrug-resistance protein 2 (MRP2) inhibitors. European Journal of Pharmaceutical Sciences. 2009, 36, 451–457.[1]