General

Qian-Nan Hu, PhD, Professor
Email: hu_qn@tib.cas.cn
Telephone:  +86-22-24828786
Address:  32 West 7th Avenue, Tianjin Airport Economic Area, Tianjin

Postcode:  300308

Research Areas

Dr Hu's research group focuses on the microbial cell factory design platform based on the most comprehesive biochemical reactions/pathways data (curated from more than 280,000 biosynthetic references). Dr. Hu proposed design tools on different levels: (1) biosynthetic molecule target selection using network-pharmacology database and modeling tools; (2) biosynthetic status of the selected target molecules; (3) online interactive biosynthetic pathway design tools; (4) enzyme discovery using biochemical structure transformations; and (5) host-cell based pathway design tools. Some data and design tools are available at www.rxnfinder.org; www.ditad.org. 

Education

1993-2004       B.S., M.S., Ph.D. Department of Chemistry and Chemical Engineering, Central South University, China


Publications

   
Papers

  • ·        43. Tu W ,Zhang H,Liu J, Qian-Nan Hu. BioSynther: a customized biosynthetic potential explorer,Bioinformatics,2016,32:472-473.

  • ·        42. Caihua WangJuan LiuFei LuoQian-Nan Hu. Multi-fields model for predicting target-ligand interactionNeurocomputing, 2016, 206:58-65.

  • ·        41. Wang CHLiu JLuo FDeng ZXQian-Nan Hu. Predicting target-ligand interactions using protein ligand-binding site and ligand substructuresBMC Systems Biology20159S2.

  • ·        40. 胡黔楠,吴玲,涂伟忠,丁邵珍,张红雨. 微生物药物生物合成知识库研究进展,生物产业技术2015,(6):59-62.

  • ·        39. Qian-Nan Hu, Zhe Deng, Weizhong Tu, Xiaoyan Yang, Zhibin Meng, Zixin Deng and Juan Liu. VNP: Interactive Visual Network Pharmacology of Diseases, Targets and Drugs. CPT: Pharmacometrics & Systems Pharmacology, 2014, 3, e105.

  • ·        38. Jinmei Zhu, Chunfeng Wu, Xiaobing Li, Guisheng Wu, Shan Xie, Qian-Nan Hu, Zixin Deng, Micheal X. Zhu, Huairong Luo, Xuechuan Hong. Synthesis, biological evaluation and molecular modeling of substituted 2-butyryliocholine aminobenzimidazoles as new dual inhibitors of acetylchlinesterase and butyrylcholinesterase. Bioorganic & Medicinal Chemistry, 2013, 21(14):4218-4224.

  • ·        37. Dong-Sheng Cao, Qing-Song Xu, Qian-Nan Hu, Yi-Zeng Liang. ChemoPy: freely available python package for computational biology and chemoinformatics. Bioinformatics, 2013, 29(8): 1092-1094.

  • ·        36. Dong-Sheng Cao, Yi-Zeng Liang, Zhe Deng, Qian-Nan Hu, Min He, Qing-Song Xu, Guang-Hua Zhou, Liu-Xia Zhang, Zi-xin Deng, Shao Liu. Genome-Scale Screening of Drug-Target Associations Relevant to Ki Using a Chemogenomics Approach. PLoS One, 2013, 8(4):e57680.

  • ·        35. Qian-Nan Hu, Hui Zhu, Xiaobing Li, Manman Zhang, Zhe Deng, Xiaoyan Yang and Zixin Deng. Assignment of EC Numbers to Enzymatic Reactions with Reaction Difference Fingerprints. PLoS One, 2012, 7(12):e52901.

  • ·        34. Dong-Sheng Cao, Shao Liu, Qing-Song Xu, Hong-Mei Lu, Jian-Hua Huang, Qian-Nan Hu, Yi-Zeng Liang. Large-scale prediction of drug-target interactions using protein sequences and drug topological structures. Anal Chim Acta, 2012, 752: 1-10.

  • ·        33. Dong-Sheng Cao, Jian-Hua Huang, Jun Yan, Liang-Xiao Zhang, Qian-Nan Hu, Qing-Song Xu, Yi-Zeng Liang. Kernel k-nearest neighbor algorithm as a flexible SAR modeling tool. Chemometrics and Intelligent Laboratory Systems, 2012, 114: 19-23.

  • ·        32. Jian-Hua Huang, Dong-Sheng Cao, Jun Yan, Qing-Song Xu, Qian-Nan Hu, Yi-Zeng Liang. Using core hydrophobicity to identify phosphorylation sites of human G protein-coupled receptors. Biochimie, 2012, 94(8): 1697-1704.

  • ·        31. Dong-Sheng Cao, Jian-Chao Zhao, Yan-Ning Yang, Jun Yan, Shao Liu, Qian-Nan Hu, Qing-Song Xu, Yi-Zeng Liang. In silico toxicity prediction by support vector machine and SMILES representation-based string kernel. SAR QSAR Environ Res., 2012, 23(1-2): 141-53.

  • ·        30. Dong-Sheng Cao, Yan-Ning Yang, Jian-Chao Zhao, Jun Yan, Shao Liu, Qian-Nan Hu, Qing-Song Xu, Yi-Zeng Liang. Computer-aided prediction of toxicity with substructure pattern and random forest. Journal of Chemometrics, 2012, 26(1-2): 7–15.

  • ·        29. Dong-Sheng Cao, Mao-Mao Zeng, Lun-Zhao Yi, Bing Wang, Qing-Song Xu, Qian-Nan Hu, Liang-Xiao Zhang, Hong-Mei Lu, Yi-Zeng Liang. A novel kernel Fisher discriminant analysis: constructing informative kernel by decision tree ensemble for metabolomics data analysis. Anal Chim Acta, 2011, 706(1): 97-104.

  • ·        28. Qian-Nan Hu, Zhe Deng, Huanan Hu, Dong-Sheng Cao, Yi-Zeng Liang. RxnFinder: Biochemical Reaction Search Engines Using Molecular Structures, Molecular Fragments, and Reaction Similarity. Bioinformatics, 2011, 27(17): 2465-7.

  • ·        27. Dong-Sheng Cao, Qian-Nan Hu, Qing-Song Xu, Yan-Ning Yang, Jian-Chao Zhao, Hong-Mei Lu, Liang-Xiao Zhang, Yi-Zeng Liang. In silico classification of human maximum recommended daily dose based on modified random forest and substructure fingerprint. Analytica Chimica Acta, 2011, 692: 50-56.

  • ·        26. Dong-Sheng Cao, Bing Wang, Mao-Mao Zeng, Yi-Zeng Liang, Qing-Song Xu, Liang-Xiao Zhang, Hong-Dong Li, Qian-Nan Hu. A new strategy of exploring metabolomics data using Monte Carlo tree. Analyst, 2011, 136(5): 947-54.

  • ·        25. Dong-Sheng Cao, Yi-Zeng Liang, Qing-Song Xu, Qian-Nan Hu, Liang-Xiao Zhang, Guang-Hui Fu. Exploring nonlinear relationships in chemical data using kernel-based methods. Chemometrics and Intelligent Laboratory Systems, 2011, 107(1): 106-115.

  • ·        24. Dong-Sheng Cao, Yi-Zeng Liang, Qing-Song Xu, Liang-Xiao Zhang, Qian-Nan Hu and Hong-Dong Li. Feature importance sampling-based adaptive random forest as a useful tool to screen underlying lead compounds. Journal of Chemometrics, 2011, 25(4): 201–207.

  • ·        23. Emrin Zitha-Bovens, Peter Maas, Dick Wife, Johan Tijhuis, Qian-Nan Hu, Thomas Kleinöder, Johann Gasteiger. COMDECOM: Predicting the Lifetime of Screening Compounds in DMSO Solution. Journal of Biomolecular Screening. 2009, 14: 557-565.

  • ·        22. Jonathan Chen, Qian-Nan Hu, Pierre Baldi. Organic Chemical Reaction Expert Systems. Annual Am. Chem. Soc. Conference. April, 2008.

  • ·        21. 向铮,卫涛,梁逸曾,胡黔楠. 拓扑指数计算软件的开发与设计. 计算机与应用化学, 2007, 24(7), 25. (Zheng Xiang, Tao Wei, Yi-zeng Liang, Qian-Nan Hu. Design of calculation software of topological index by MATLAB for application. Computers and Applied Chemistry. (in Chinese). 2007, 24(7), 25.)

  • ·        20. Qian-Nan Hu, Yi-Zeng Liang., Xu, Q. S., Fang, K. T., Peng, X. L. and Yin, H. Structural Features within Degree Distributions of Topological Graphs. J. Math. Chem., 2005, 37 (1): 37-56.

  • ·        19. Xiao-Ling Peng, Qian-Nan Hu, Yi-Zeng Liang. Variable Selection via Nonconcave Penalty Function in Structure-Boiling Points Correlations. J. Mol. Str.: THEOCHEM, 2005, 714 (2-3): 235-242.

  • ·        18. Shansheng Yang, Wencong Lu, Nianyi Chen, Qian-Nan Hu. Support vector regression based QSPR for the prediction of some physicochemical properties of alkyl benzenes. Journal of Molecular Structure: THEOCHEM. 2005, 719(1-3):119-127.

  • ·        17. 向铮,梁逸曾,胡黔楠. 基于HQN编码的芳香性识别算法 (Aromaticity Identification Using HQN methods). 计算机与应用化学Computers and Applied Chemistry. (in Chinese)., 2005, 10, 27-29.

  • ·        16. 王亚丽,梁逸曾,李博岩,胡芸,胡黔楠. 当归补血汤中组分的变化及归属分析 (Relative adscription of components between complex and single herb in Danggui Buxue Decoction). 中草药 (CHINESE TRADITIONAL AND HERBAL DRUGS), 2005, 10,21-24.

  • ·        15. 沈菊文,胡黔楠,梁逸曾. 子空间比较法研究拓扑块的变量关系及变量选择. 高等学校化学学报. 2005, 26(1), 39-54. (Ju-Wen Shen, Qian-Nan Hu, Yi-Zeng Liang. Application of Subspace Comparison Method in Studying the Relationship between Topological Block Variables and Variable Selection. Chemical Journal of Chinese Universities. (in Chinese). 2005, 26(1), 39-54. )

  • ·        14. 向铮,梁逸曾,胡黔楠. 甲基烷烃结构与色谱保留指数相关性的拓扑指数法研究. 色谱. 2005, 23(2):117-122. (XIANG Zheng, Yi-Zeng Liang, Qian-Nan Hu. Study on Topological Index of Methylalkane Structures and Chromatographic Retention Index. Chromatography. (in Chinese). 2005, 23(2):117-122.)

  • ·        13. 赵晨曦,梁逸曾,胡黔楠,张泰铭. 气相色谱保留指数定性方法研究进展. 分析化学. 2005, 5:129-135. (Chen-Xi Zhao, Yi-Zeng Liang, Qian-Nan Hu. Review on gas chromatographic retention index. Chinese J. Anal. Chem. (in Chinese), 2005, 5:129-135. )

  • ·        12. Ya-Li Wang, Yi-Zeng Liang, Ben-Mei Chen, Bo-Yan Li, Qian-Nan Hu. LC-DAD-APCI-MS-based screening and analysis of the absorption and metabolite components in plasma from a rabbit administered an oral solution of danggui. Analytical and Bioanalytical Chemistry 2005, 383 (2): 247-254.

  • ·        11. 贠栋,梁逸曾,徐承建,胡黔楠,梁江龙. 结构描述符正交化及典型相关分析在饱和醇、醚质谱分类中的应用. 应用化学, 2004, 21 (3), 223-226. (Yun, D., Yi-Zeng Liang, Xu, C.. J. Qian-Nan Hu, Liang, J, H. Application of orthogonal computation of block variables and canonical correlation analysis in Mass spectral classification of saturated alcohol and ether. Chinese Journal of Applied Chemistry. (in Chinese). 2004, 21 (3), 223-226. )

  • ·        10. 刘伟,胡黔楠,梁逸曾. 化学标识语言(CML)QSAR/QSPR研究中的应用计算机与应用化学. 2004, 4, 521-524. (Liu, Wei, Qian-Nan Hu, Yi-Zeng Liang. Application of Chemical Markup Language (CML) in QSAR/QSPR Research. Computers and Applied Chemistry. (in Chinese). 2004, 4, 521-524.)

  • ·        9. Qian-Nan Hu, Yi-Zeng Liang, Hong Yin, Xiao-Ling Peng, Kai-Tai Fang. Structure Interpretation of Topological Index (2) Molecular Connectivity Index, Kappa Index and E-State Index. J. Chem. Inf. Comput. Sci. 2004, 44: 1193-1201.

  • ·        8. Qian-Nan Hu, Yi-Zeng Liang. The branch number of a topological graph. Internet Electronic Journal of Molecular Design. 2004, 3(6): 335-349.

  • ·        7. Xiao-Ling Peng, , Kai-Tai Fang, Qian-Nan Hu, Yi-Zeng Liang. Impersonality of the Connectivity Index and Recomposition of Topological Indices According to Different Properties. Molecule, 2004, 9: 1089-1099.

  • ·        6. Qian-Nan Hu, Yi-Zeng Liang, Xiao-Ling Peng, Hong Yin, Kai-Tai Fang. Structure Interpretation of Topological Index (1) External Factor Variable Connectivity Index. J. Chem. Inf. Comput. Sci. 2004, 44: 437-446.

  • ·        5. Qian-Nan Hu, Yi-Zeng Liang, Feng-Liang Ren. Molecular Graph Center, A Novel Approach to Locate the Center of a Molecule and a New Centric Index. J. Mol. Str.: THEOCHEM. 2003, 635: 105-113.

  • ·        4. 胡黔楠,梁逸曾,王亚丽,郭方遒,黄兰芳. 直观队列命名法的基本原理及其在矩阵与拓扑指数计算中的应用. 计算机与应用化学, 2003, 20, 386-390. (Qian-Nan Hu, Yi-Zeng Liang, Ya-Li Wang, Fang-Qiu Guo, Lan-Fang Huang. The basic principles of heuristic queue notation (H.Q.N.) and its applications in calculation of matrix and topological index for topological graphs. Computers and Applied Chemistry. (in Chinese). 2003, 20, 386-390. )

  • ·        3. Qian-Nan Hu, Yi-Zeng Liang, Xiao-Ling Peng, Hong Yin, Zhu L. Application of Orthogonal Block Variables and Canonical Correlation Analysis in Modeling Pharmacological Activity of Alkaloids from Plant Medicines. J. Data Sci. 2003, 1(4): 405-423.

  • ·        2. Huang, L. F., Liang, Y. Z., Guo, F. Q., Qian-Nan Hu, Chen, B. M. Rapid simultaneous determination of arginine and methylated arginines in human urine by high-performance liquid chromatographymass spectrometry. Anal. Chem. Acta. 2003, 487:145-153.

  • ·        1. Qian-Nan Hu, Yi-Zeng Liang, Ya-Li Wang, Cheng-Jian Xu, Zhong-Da Zeng, Kai-Tai Fang, Xiao-Ling Peng, Yin Hong. External Factor Variable Connectivity Index. J. Chem. Inf. Comput. Sci. 2003, 43:773-778.

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Research Interests

Dr Hu's research group focuses on the microbial cell factory design platform based on the most comprehesive biochemical reactions/pathways data (curated from more than 280,000 biosynthetic references). Dr. Hu proposed design tools on different levels: (1) biosynthetic molecule target selection using network-pharmacology database and modeling tools; (2) biosynthetic status of the selected target molecules; (3) online interactive biosynthetic pathway design tools; (4) enzyme discovery using biochemical structure transformations; and (5) host-cell based pathway design tools. Some data and design tools are available at www.rxnfinder.org; www.ditad.org. 


Professional Experience

2014-Present   Principle Investigator, Tianjin Institute of Industrial Biotechnology, Chinese Academy of Sciences, Tianjin, China

2010-2014       Associate Professor, Wuhan University, Wuhan, China.

2008-2010       Institute Research Fellow, Kyoto University, Kyoto, Japan.

2007-2008       Postdoc., University of California, Irvine, CA, U.S.A.

2004-2007       Postdoc., University of Erlangen-Nurnberg, Erlangen, Germany.