a computational study on thiourea analogs as potent mk-2 inhibitors计算研究硫脲类似物作为有效的mk 2抑制剂.pdfVIP

Int. J. Mol. Sci. 2012, 13, 7057-7079; doi:10.3390/ijm OPEN ACCESS International Journal of Molecular Sciences ISSN 1422-0067 /journal/ijms Article A Computational Study on Thiourea Analogs as Potent MK-2 Inhibitors Ming Hao 1, Hong Ren 2,3, Fang Luo 4, Shuwei Zhang 1, Jieshan Qiu 1,*, Mingjuan Ji 4, Hongzong Si 5,6 and Guohui Li 3,* 1 Department of Materials Science and Chemical Engineering, Dalian University of Technology, Dalian 116023, China; E-Mails: dluthm@ (M.H.); zswei@ (S.Z.) 2 Department of Ophthalmology, Qi Lu Hospital, Medical School of Shandong University, Jinan 250012, China; E-Mail: renhong999@ 3 Laboratory of Molecular Modeling and Design, State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China 4 College of Chemistry and Chemical Engineering, Graduate School of the Chinese Academy of Sciences, Beijing 100049, China; E-Mails: luofang09b@ (F.L.); jmj@ (M.J.) 5 Institute for Computational Science and Engineering, Laboratory of New Fibrous Materials and Modern Textile, The Growing Base for State Key Laboratory, Qingdao University, Qingdao 266071, China; E-Mail: sihz@ 6 Department of Chemistry, Lanzhou University, Lanzhou 730000, China * Authors to whom correspondence should be addressed; E-Mails: jqiu@ (J.Q.); ghli@ (G.L.); Tel.: +86-411(J.Q.); +86-411(G.L.). Received: 23 April 2012; in revised form: 25 May 2012 / Accepted: 28 May 2012 / Pu