Current position: Professor of Medicinal Chemistry
Department of Medicinal Chemistry
Key Laboratory of Chemical Biology (MOE)
School of Pharmacy, Shandong University
Jinan, Shandong 250012
B. S. : 1999, Department of Pharmaceutics, China Pharmaceutical University, Nanjing, Jiangsu 210009, China
Ph. D. : 2005, Department of Medicinal Chemistry, China Pharmaceutical University, Nanjing, Jiangsu 210009, China
June 2003 – September 2003: Visiting Scholar with Professors Jinfen Lu and Lihe Zhang, National Research Laboratory of Natural and Biomimetic Drugs, Peking University, Beijing 100083, China
September 2005 – April 2009: Postdoctoral Research Associate with Professor Binghe Wang, Department of Chemistry, Georgia State Univeristy, Atlanta, GA 30303, USA
October 2007 – April 2009: Assistant Professor, Department of Chemistry, Georgia State Univeristy, Atlanta, GA 30303, USA
April 2009 – present: Professor, Department of Medicinal Chemistry, School of Pharmacy, Shandong University, Jinan, Shandong 250012, China
1. Medicinal Chemistry: Rational Design, Synthesis, Biological Evaluation and Structure-Activity Relationship Studies of Novel Therapeutic Agents Targeted on Various Enzymes, G-Protein Coupled Proteins (GPCRs) and Ion Channels
2. Chemical Biology: Development of Optical Sensors for the Recognition and Analysis of Molecules of Biological Importance
3. Computational Chemistry: Identification of Potential Molecules using Quantative Structure-Activity Relationship (QSAR), Pharmacophore Modeling and Molecular Docking, and Modeling and Simulation of Macromolecular Structure, Enzyme Mechanism, and Ligand Binding using Molecular Mechanics (MM), Molecular Dynamics (MD) and/or Quantum Mechanics (QM)
HONORS, AWARDS AND RECOGNITIONS
Membership of the America Chemical Society (2005-present)
Membership of the Cheminformatics and QSAR Society (2006-present)
Membership of Sigma Xi, the Scientific Research Society (2006-present)
Membership of China Chemical Society (2009-present)
Senior Membership of China Pharmaceutical Association (2009-present)
Outstanding Undergraduate Fellowship (1995-1999)
Huashi Young Scientist Award for Marine Drug Research, November 2009
SCOPUS Young Scientist Award, December 2009
Recipient of the Fok Ying Tung Foundation Research Grant, May, 2010
Shandong Outstanding Young Scientist, October 2010
Outstanding Young Scientist of Shandong University, October 2010
The Prestigious Reviewer Award of Journal of Proteomics & Bioinformatics in 2010, January 2011
Young Scientists Award of the 43rd IUPAC Congress, May 2011
Young Observer Award of the 46th IUPAC General Assembly, June 2011
New Century Excellent Talent, Ministry of Education of China, November 2011
Guest Editor for Current Topics in Medicinal Chemistry, April 2009
Associate Editor of Medicinal Research Reviews, since 2011
Editorial Board Member of ISRN Pharmaceutics, Drug Discoveries & Therapeutics and Computational Biology Journal, since 2011
Ad hoc Reviewer for
(1)Chemical Biology & Drug Design;
(2)Journal of Molecular Modeling;
(3)Journal of Computer-Aided Molecular Design;
(5)Bioorganic & Medicinal Chemistry Letters;
(6)Bioorganic & Medicinal Chemistry;
(7)Journal of Biological Research;
(9)Journal of Medicinal Plants Research ;
(10)Physical Chemistry Chemical Physics ;
(12)Journal of Global Infectious Diseases ;
(13)Molecular BioSystems ;
(14)Letters in Drug Design & Discovery;
(15) Drug Design, Development and Therapy ;
(16) Organic & Biomolecular Chemistry ;
(17) Journal of Computational Chemistry ;
(18)Current Topics in Medicinal Chemistry ;
(19) Journal of the American Chemical Society;
(20) Mini-reviews in Medicinal Chemistry;
(21) Applied Catalysis A: General;
(23) Journal of Physical Chemistry;
(24) Artificial Intelligence in Medicine;
(25) Dalton Transactions;
(26) Acta Pharmacologica Sinica
Grant Reviewer for
(1) the National Natural Science Foundation of China;
(2) the Fok Ying Tung Education Foundation;
(3) the PhD Program Foundation of Ministry of Education of China
1. The antibacterial study of novel sulfonyl derivatives, PI, The Doctoral Fund of Shandong Province (No. BS2009SW011), ￥50,000, December 2009-November 2012.
2. The antibacterial evaluation of SecA ATPase inhibitors, PI, The PhD Program Foundation of Ministry of Education of China (No. 20090131120080), ￥32,000, January 2010-December 2012.
3. The application of pharmacophore and scaffold hopping on chemical optimization of natural product, PI, The Fok Ying Tung Education Foundation (No. 122036), $20,000, May 2010-April 2013.
4. The biological evaluation of AI-2 quorum sensing inhibitors, PI, The National Natural Science Foundation of China (No. 81001362), ￥230,000, January 2011-December 2013.
5. The application of molecular probe on drug design and discovery, PI, Outstanding Young Scientist Award of Shandong Natural Science Foundation (No. JQ201019), ￥500,000, October 2010- October 2013.
6. The fluorescent probe of α1-adrenoceptor, PI, Outstanding Young Scientist Award of Shandong University (No. 2010JQ005), ￥300,000, June 2010- December 2012.
7. Development of Benzylthioether SecA ATPase Inhibitors, PI, the Scientific Research Foundation for the Returned Overseas Chinese Scholars, ￥40,000, April 2011-April 2014.
8. Development of APN Small Molecule Fluorescent Probes, PI, the New Century Excellent Talent Project (No. NCET-11-0306), ￥500,000, January 2012-December 2014.
9. The Synthesis and Anti-cancer Activity Study of Triazole-Gold Derivatives, China PI, The National Natural Science Foundation of China (No. 21228204), ￥200,000, January 2013-December 2014.
10. The computational study on interaction between heterologous modules and biological chassises, PI, National Program on Key Basic Research Project (2013CB734002), ￥5,000,000, January 2013-October 2017
Li, M. Y.; Du, L. P.; Wu, B.; Xia, L. Self-organizing molecular field analysis on α1a-adrenoceptor dihydropyridine antagonists. Bioorg. Med. Chem. 2003, 11, 3945-3951.
Li, M. Y.; Tsai, K. C.; Xia, L. Pharmacophore identification of α1A-adrenoceptor antagonists. Bioorg. Med. Chem. Lett. 2005, 15, 657-664.
Li, M. Y.; Fang, H.; Xia, L. Pharmacophore-based design, synthesis, biological evaluation, and 3D-QSAR studies of aryl-piperazines as α1-adrenoceptor antagonists. Bioorg. Med. Chem. Lett. 2005, 15, 3216-3219.
Li, M. Y.; Lu, J. F.; Xia, L. Receptor-based molecular modeling study on antagonist-bound human α1A, α1B and α1D-adrenoceptors. Acta Chim. Sinica 2005, 63, 1875-1883.
Li, M. Y.; Wang, B. H. Computational studies of H5N1 hemagglutinin binding with SA-α-2, 3-Gal and SA-α-2, 6-Gal. Biochem. Biophys. Res. Commun. 2006, 347, 662-668. (Top 10 Hottest Articles on Biochemical and Biophysical Research Communications on July – September 2006)
Li, M. Y.; Xia, L. Rational design, synthesis, biological evaluation, and structure-activity relationship studies of novel 1-indanone α1-adrenoceptor antagonists. Chem. Biol. Drug Des. 2007, 70, 461-464.
Li, M. Y.; Wang, B. H. Homology modeling and examination of the effect of the D92E mutation on the H5N1 nonstructural protein NS1 effector domain. J. Mol. Model. 2007, 13, 1237-1244.
Li, M. Y.; Huang, Y. J.; Tai, P. C.; Wang, B. H. Discovery of the first SecA inhibitors using structure-based virtual screening. Biochem. Biophys. Res. Commun. 2008, 368, 839-845.
Li, M. Y.*; Ni, N. T.; Wang, B. H.; Zhang, Y. Q. Modeling the excitation wavelengths (λex) of boronic acids. J. Mol. Model. 2008, 14, 441-449.
Yang, Q.; Du, L. P.; Wang, X. J.; Li, M. Y.*; You, Q. D. Modeling the binding modes of Kv1.5 potassium channel and blockers. J. Mol. Graph. Model. 2008, 27, 178-187.
Li, M. Y.; Ni, N. T.; Chou, H. T.; Lu, C. D.; Tai, P. C.; Wang, B. H. Structure-based discovery and experimental verification of novel Al-2 quorum sensing inhibitors against Vibrio harveyi. ChemMedChem 2008, 3, 1242-1249.
Tsai, K. C.; Wang, S. H.; Hsiao, N. W.; Li, M. Y.*; Wang, B. H. The effect of different electrostatic potentials on docking accuracy: A case study using DOCK5.4. Bioorg. Med. Chem. Lett. 2008, 18, 3509-3512.
Li, M. Y.*; Fang, H.; Du, L. P.; Xia, L.; Wang, B. H. Computational studies of the binding site of α1A-adrenoceptor antagonists. J. Mol. Model. 2008, 14, 957-966.
Li, M. Y.; Lin, N.; Huang, Z.; Du, L. P.; Altier, C.; Fang, H.; Wang, B. H. Selecting aptamers for a glycoprotein through the incorporation of the boronic acid moiety. J. Am. Chem. Soc. 2008, 130, 12636-12638. (Highlighted by Faculty of 1000 Biology)
Yang, Q.; Du, L. P.; Wang, X. J.; Li, M. Y.*; You, Q. D. Pharmacophore Mapping for Kv1.5 Potassium Channel Blockers. QSAR Comb. Sci. 2009, 28, 59-71.
Jin, S., Choudhary, G., Cheng, Y.F., Dai, C.F., Li, M.Y.* and Wang, B.H., Fluoride Protects Boronic Acids in Copper (I)-mediated Click Reaction, Chem. Commun., 2009, 5251-5253.
Cheng, Y.F., Li, M.Y.*, Wang, S.R., Peng, H.J., Reid, S., Ni, N.T., Fang, H., Xu, W.F. and Wang, B.H., Carbohydrate Biomarkers for Future Disease Detection and Treatment, Sci. China Chem. 2010, 53, 3-20.
Du, L.P., Ni, N.T., Li, M.Y.* and Wang, B.H., A Fluorescent Hydrogen Peroxide Probe Based on a ‘Clickable’ Coumarin Fluorophore, Tetrahedron Lett. 2010, 51, 1152-1154.
Tsai, K.C., Wang, S.H., Hsiao, N.W., Li, M.Y.*, and Wang, B.H., A Comparsion of Different Electrostatic Potentials on Prediction Accuracy using CoMFA and CoMSIA Studies, Eur. J. Med. Chem. 2010, 45, 1544-1551.
Wang, X.J., Yang, Q., Yin, D.L., Li, M.Y.* and You, Q.D., in silico Binding Characteristics between Human Histamine H1 Receptor and Antagonists, J. Mol. Model., 2010, 16, 1529-1537.
King-Keller, S., Li, M.Y., Smith, A., Zheng, S., Kaur, G., Yang, X., Wang, B.H. and Docampo, R. Chemical Validation of Phosphodiesterase C as a Chemotherapeutic Target in Trypanosoma cruzi, the Etiological Agent of Chagas' Disease, Antimicrob. Agents Chemother., 2010, 54, 3738-3745 (co-first author)
Yang, Q., Fedida, D., Xu, H., Wang, B., Du, L., Wang, X., Li, M.Y.* and You, Q.D. Structure-Based Virtual Screening and Electrophysiological Evaluation of New Chemotypes of Kv1.5 Channel Blockers, ChemMedChem, 2010, 5, 1353-1358.
Zhang, L., Zhu, H.W., Wang, Q., Fang, H., Xu, W.F. and Li, M.Y.*, Homology modeling, molecular dynamic simulation and docking studies of cyclin dependent kinase 1, J. Mol. Model. 2011, 17, 219-226.
Zhao, J., Du, Y., Horton, J.R., Upadhyay, A.K., Lou, B., Bai, Y., Zhang, X., Du, L., Li, M.Y., Wang, B., Zhang, L., Barbieri, J.T., Khuri, F.R., Cheng, X., Fu, H. Discovery and structural characterization of a small molecule 14-3-3 protein-protein interaction inhibitor. Proc. Natl. Acad. Sci. USA. 2011,108(39):16212-6.
Sun, W., Li, J., Li, W.H., Su, L.J., Du, L.P. and Li, M.Y.* A Design of OFF/ON Fluorescent Thiol Probes Based on Coumarin Fluorophore. Sci. China Chem. 2012, 55, 1776-1780.
Sun, W., Li, W.H., Li, J., Zhang, J., Du, L.P. and Li, M.Y.* A benzothiazole-based fluorescent probe for thiol bioimaging, Tetrahedron Lett. 2012, 53, 2332-2335.
Zhu, M.Y. and Li, M.Y. * Revisiting the homology modeling of G-protein coupled receptors: β1-adrenoceptor as an example. Mol. BioSyst. 2012, 8, 1686-1693.
Sun, W., Li, W.H., Li, J., Zhang, J., Du, L.P. and Li, M.Y.* Naphthalimide-based fluorescent OFF/ON probes for the detection of thiols in living cells, Tetrahedron 2012, 68, 5365-5369.
Chen, L.Z., Sun, W., Li, W.H., Li. J., Du, L.P., Xu, W.F., Fang, H. and Li, M.Y. * The first ratiometric fluorescent probe for aminopeptidase N. Anal. Method 2012, 4, 2661-2663.
Zhu, P., Peng, H.J., Ni, N.T., Wang, B.H. and Li, M.Y. * Novel AI-2 Quorum Sensing Inhibitors in Vibrio harveyi Identified Through Structure-based Virtual Screening. Bioorg. Med. Chem. Lett. 2012, 22, 6413-6417.
Li, W.H., Sun, W., Yu, X.Q., Du, L.P. and Li, M.Y. * Coumarin-based Fluorescent Probes for H2S Detection. J. Fluoresc. 2013, 23, 181-186.
Xu, M., Bi, Y.L., Zhu, M.Y. and Li, M.Y. * Alignment-independent QSAR Analysis of SecA inhibitors. Protein Peptide Lett. 2013, in press
Li, J., Chen, L.Z., Du, L.P. and Li, M.Y. * Cage the Firefly Luciferin! – A Strategy for Developing Bioluminescent Probes, Chem. Soc. Rev. 2013, 42, 662-676.
Chen, L.Z., Li, W.H., Li. J., Du, L.P., Xu, W.F., Fang, H. and Li, M.Y. * A naphthalimide-based ratiometric fluorescent probe for aminopeptidase N imaging. Org. Biomol. Chem. 2013, 11, 378-382.
Ma, Z., Du, L.P. and Li, M.Y.* Lighting up GPCRs with a Fluorescent Multiprobe Dubbed Snifit. ChemBioChem 2013, 14, 184-186.
Hou, X.B., Du, J.T., Fang, H. and Li, M.Y.* How to improve docking accuracy of AutoDock4.2: A case study using different electrostatic potentials. J. Chem. Inf. Model. 2013, 53, 188-210.
Jiang, T.Y. and Li, M.Y.* Quorum sensing inhibitors: a patent review. Expert Opin. Ther. Pat. 2013, DOI:10.1517/13543776.2013.779674
Sun, W., Du, L.P. and Li, M.Y.* Bifunctional Fluorescent Probes for Hydrogen Peroxide and Carbohydrates Based on a 1,8-Naphthalimides Fluorophore. Sci. China Chem. 2013, in publish
Ma, Z., Sun, W., Chen, L.Z., Li, J., Liu, Z.Z., Bai, H.X., Zhu, M.Y., Du, L.P., Shi, X.D. and Li, M.Y.* A novel hydrazino-substituted naphthalimide-based fluorogenic probe for tert-butoxy radicals. Chem. Commun. 2013, in press
Chen, L.Z., Li. J., Liu, Z.Z., Ma, Z., Zhang, W., Du, L.P., Xu, W.F., Fang, H. and Li, M.Y. * A novel pH “off-on” fluorescent probes for lysosome imaging. RSC Adv. 2013, in press
PATENTS AND PATENT FILINGS
1. Li, M.Y., Du, L.P., Li, W.H. A series of phenylpiperazine fluorescent probes of α1-adrenergic receptor, CN201110101082.5, April 2011.
2. Li, M.Y., Du, L.P., Li, W.H. A series of quinazoline fluorescent probes of α1-adrenergic receptor, CN201110100874.0, April 2011.
3. Li, M.Y., Du, L.P., Zhu, P. Preparation and application of triazoles, CN201110100999.3, April 2011.
4. Li, M.Y., Du, L.P., Zhu, P. Preparation and application of furans, CN201210030683.6, February 2012.
5. Li, M.Y., Du, L.P., Chen, L.Z. Preparation and application of amino acid-fluorophore conjugates, CN201210030393.1, February 2012.