个人简历

罗小民 博士

Xiaomin Luo, Ph.D

研究员

Professor

 

电话(Tel):50806705; 50806600-1203
传真(Fax): 50807188
Email: xmluo@mail.shcnc.ac.cn

 

 

197010月生,江西省丰城市人。19947月毕业于华东师范大学化学系,获理学学士学位;19977月毕业于华东师范大学化学系,获理学硕士学位;20007月毕业于中国科学院上海药物研究所,获得理学博士学位。现任中国科学院上海药物研究所研究员、博士研究生导师。

主要从事药物设计和分子模拟研究,进行了计算机辅助组合化学集中库设计、药物ADMET性质预测以及EGFR酪氨酸激酶等靶标抑制剂的药物设计研究工作。发展了一种化合物类药性评价方法;发展了一种基于分子多样性、类药性及分子与靶标生物大分子结合活性的组合化学集中库评价及优化方法,该方法应用于PPARγCOX-2等体系的药物设计,获得了新的、高活性的药物先导化合物;发展了有机化合物酸碱解离常数(pKa)、溶解度(logS)、致畸、致癌毒性等性质的预测方法。利用虚拟筛选和QSAR等药物设计方法发现、设计了多个对酪氨酸激酶、β分泌酶等靶标有活性的化合物。

 

研究领域

  • 计算机辅助药物设计
  • 化学信息学

 

代表论文

1.         Yong Wang, Mingyue Zheng, Jianfeng Xiao, Yuxiang Lu, Fei Wang, Jin Lu, Xiaomin Luo*, Weiliang Zhu, Hualiang Jiang* and Kaixian Chen. Using support vector regression coupled with the genetic algorithm for predicting acute toxicity to the fathead minnow. SAR and QSAR in Environmental Research, 2010, 21, 559-570.

2.         Mingyue Zheng, Qiancheng Shen, Yong Wang, Fei Wang, Weiliang Zhu, Xiaomin Luo*, Hualiang Jiang*. Site of Metabolism (SOM) Prediction for Six Cytochromes P450-mediated Reactions. Bioinformatics, 2009, 25, 1251–1258.

3.         Hai-hong LI, Xiu-hua ZHANG, Jin-zhi TAN, Li-li CHEN, Hong LIU*, Xiao-min Luo*, Xu SHEN, Li-ping LIN*, Kai-xian CHEN, Jian DING, Hua-liang JIANG. Design, synthesis, antitumor evaluations and molecular modeling studies of novel 3,5-substituted indolin-2-one derivatives. Acta Pharmacol Sin. 2007, 28, 140–152.

4.         Mingyue Zheng, Zhiguo Liu, Chunxia Xue, Weiliang Zhu, Kaixian Chen, Xiaomin Luo*, and Hualiang Jiang, Mutagenic Probability Estimation of Chemical Compounds by a Novel Molecular Electrophilicity Vector and Support Vector Machine Bioinformatics, 2006, 22, 2099–2106.

5.         Suxin Zheng, Xiaomin Luo*, Gang Chen, Weiliang Zhu, Jianhua Shen, Kaixian Chen, Hualiang Jiang*. A New Rapid and Effective Chemistry Space Filter in Recognizing Drug-like Database. Journal of Chemical Information and Modeling, 2005, 45, 856-862.

6.         Gang Chen, Suxin Zheng, Xiaomin Luo*, Jianhua Shen, Weiliang Zhu,* Hong Liu, Chunshan Gui, Jian Zhang, Mingyue Zheng, Chum Mok Puah, Kaixian Chen, Hualiang Jiang*. Focused Combinatorial Library Design Based on Structural Diversity, Drug-Likeness and Binding Affinity Score. J. Combin. Chem., 2005, 7(3), 398-406.

7.         Lili Chen, Chunshan Gui, Xiaomin Luo, Qingang Yang, Stephan Gu¨nther, Elke Scandella, Christian Drosten, Donglu Bai, Xichang He, Burkhard Ludewig, Jing Chen, Haibin Luo, Yiming Yang, Yifu Yang, Jianping Zou, Volker Thiel, Kaixian Chen, Jianhua Shen, Xu Shen, and Hualiang Jiang, Cinanserin Is an Inhibitor of the 3C-Like Proteinase of Severe Acute Respiratory Syndrome Coronavirus and Strongly Reduces Virus Replication In Vitro. Journal of Virology, 2005, 79(11), 7095–7103.

 

 

Xiaomin Luo, Ph.D.

Professor

Tel: +86-21-50806600 * 1203
Fax: 50807188
Email: xmluo@mail.shcnc.ac.cn 

AREA OF INTEREST

 

  • Drug Design
  • Cheminformatics

 

Selected Publications

1.         Yong Wang, Mingyue Zheng, Jianfeng Xiao, Yuxiang Lu, Fei Wang, Jin Lu, Xiaomin Luo*, Weiliang Zhu, Hualiang Jiang* and Kaixian Chen. Using support vector regression coupled with the genetic algorithm for predicting acute toxicity to the fathead minnow. SAR and QSAR in Environmental Research, 2010, 21, 559-570.

2.         Mingyue Zheng, Qiancheng Shen, Yong Wang, Fei Wang, Weiliang Zhu, Xiaomin Luo*, Hualiang Jiang*. Site of Metabolism (SOM) Prediction for Six Cytochromes P450-mediated Reactions. Bioinformatics, 2009, 25, 1251–1258.

3.         Hai-hong LI, Xiu-hua ZHANG, Jin-zhi TAN, Li-li CHEN, Hong LIU*, Xiao-min Luo*, Xu SHEN, Li-ping LIN*, Kai-xian CHEN, Jian DING, Hua-liang JIANG. Design, synthesis, antitumor evaluations and molecular modeling studies of novel 3,5-substituted indolin-2-one derivatives. Acta Pharmacol Sin. 2007, 28, 140–152.

4.         Mingyue Zheng, Zhiguo Liu, Chunxia Xue, Weiliang Zhu, Kaixian Chen, Xiaomin Luo*, and Hualiang Jiang, Mutagenic Probability Estimation of Chemical Compounds by a Novel Molecular Electrophilicity Vector and Support Vector Machine Bioinformatics, 2006, 22, 2099–2106.

5.         Suxin Zheng, Xiaomin Luo*, Gang Chen, Weiliang Zhu, Jianhua Shen, Kaixian Chen, Hualiang Jiang*. A New Rapid and Effective Chemistry Space Filter in Recognizing Drug-like Database. Journal of Chemical Information and Modeling, 2005, 45, 856-862.

6.         Gang Chen, Suxin Zheng, Xiaomin Luo*, Jianhua Shen, Weiliang Zhu,* Hong Liu, Chunshan Gui, Jian Zhang, Mingyue Zheng, Chum Mok Puah, Kaixian Chen, Hualiang Jiang*. Focused Combinatorial Library Design Based on Structural Diversity, Drug-Likeness and Binding Affinity Score. J. Combin. Chem., 2005, 7(3), 398-406.

7.         Lili Chen, Chunshan Gui, Xiaomin Luo, Qingang Yang, Stephan Gu¨nther, Elke Scandella, Christian Drosten, Donglu Bai, Xichang He, Burkhard Ludewig, Jing Chen, Haibin Luo, Yiming Yang, Yifu Yang, Jianping Zou, Volker Thiel, Kaixian Chen, Jianhua Shen, Xu Shen, and Hualiang Jiang, Cinanserin Is an Inhibitor of the 3C-Like Proteinase of Severe Acute Respiratory Syndrome Coronavirus and Strongly Reduces Virus Replication In Vitro. Journal of Virology, 2005, 79(11), 7095–7103.