Synthesis, In vitro Coagulation Activities and Molecular Docking Studies on Three L-Histidine Amide Derivatives

doi:10.1007/s40242-018-7184-4

高等学校化学研究 ›› 2018, Vol. 34 ›› Issue (1): 90-94.doi: 10.1007/s40242-018-7184-4

Synthesis, In vitro Coagulation Activities and Molecular Docking Studies on Three L-Histidine Amide Derivatives

HE Wei¹, ZHAO Anran², ZOU Jiajia¹, LUO Xuan¹, LIN Xiao³, WANG Lisheng¹, LIN Cuiwu¹

1. School of Chemistry and Chemical Engineering, Nanning & Guangxi Colleges and Universities Key Laboratory of Applied Chemistry Technology and Resource Development, Guangxi University, Nanning 530004, P. R. China;
2. Department of Chemistry, Cleveland State University, Cleveland, OH 44115, USA;
3. Guangxi Key Laboratory of Traditional Chinese Medicine Quality Standards, Guangxi Institute of Traditional Medical and Pharmaceutical Sciences, Nanning 530022, P. R. China

收稿日期:2017-05-23 出版日期:2018-02-01 发布日期:2018-01-20
通讯作者: LIN Cuiwu,E-mail:Lincuiwu@163.com E-mail:Lincuiwu@163.com
基金资助:
Supported by the National Natural Science Foundation of China(No.21362001), the Project of the Guangxi Key Laboratory of Traditional Chinese Medicine Quality Standards, China(No.guizhongzhongkai201104) and the High Level Innovation Team and Outstanding Scholar Project of Guangxi Institutions of Higher Education, China(No.guijiaoren[2014]49).

Synthesis, In vitro Coagulation Activities and Molecular Docking Studies on Three L-Histidine Amide Derivatives

HE Wei¹, ZHAO Anran², ZOU Jiajia¹, LUO Xuan¹, LIN Xiao³, WANG Lisheng¹, LIN Cuiwu¹

1. School of Chemistry and Chemical Engineering, Nanning & Guangxi Colleges and Universities Key Laboratory of Applied Chemistry Technology and Resource Development, Guangxi University, Nanning 530004, P. R. China;
2. Department of Chemistry, Cleveland State University, Cleveland, OH 44115, USA;
3. Guangxi Key Laboratory of Traditional Chinese Medicine Quality Standards, Guangxi Institute of Traditional Medical and Pharmaceutical Sciences, Nanning 530022, P. R. China

Received:2017-05-23 Online:2018-02-01 Published:2018-01-20
Contact: LIN Cuiwu,E-mail:Lincuiwu@163.com E-mail:Lincuiwu@163.com
Supported by:
Supported by the National Natural Science Foundation of China(No.21362001), the Project of the Guangxi Key Laboratory of Traditional Chinese Medicine Quality Standards, China(No.guizhongzhongkai201104) and the High Level Innovation Team and Outstanding Scholar Project of Guangxi Institutions of Higher Education, China(No.guijiaoren[2014]49).

摘要/Abstract

摘要： Three novel L-histidine amide derivatives were synthesized and the corresponding chemical structures were characterized by means of melting point analysis, IR, MS, ¹H NMR as well as ¹³C NMR. The coagulation acti- vities of the compounds were evaluated by an MOE(molecular operating environment) docking technique and coagulation test. The results obtained from molecular docking show that the interactions between the compounds and thrombin exhibit procoagulant activity in combination with an improved combinatory effect. Moreover, the results of in vitro coagulation tests show that the L-histidine amide derivatives feature coagulant activities in common coagulation pathways. Compared with the blank control group, the optimal shortening rates of compounds 1―3 were 39.08%(0.5 mmol/L), 22.94%(1.0 mmol/L) and 15.38%(0.0625 mmol/L), respectively.

关键词: L-Histidine amide derivative, Molecular docking, Coagulation test

Abstract: Three novel L-histidine amide derivatives were synthesized and the corresponding chemical structures were characterized by means of melting point analysis, IR, MS, ¹H NMR as well as ¹³C NMR. The coagulation acti- vities of the compounds were evaluated by an MOE(molecular operating environment) docking technique and coagulation test. The results obtained from molecular docking show that the interactions between the compounds and thrombin exhibit procoagulant activity in combination with an improved combinatory effect. Moreover, the results of in vitro coagulation tests show that the L-histidine amide derivatives feature coagulant activities in common coagulation pathways. Compared with the blank control group, the optimal shortening rates of compounds 1―3 were 39.08%(0.5 mmol/L), 22.94%(1.0 mmol/L) and 15.38%(0.0625 mmol/L), respectively.

Key words: L-Histidine amide derivative, Molecular docking, Coagulation test

HE Wei, ZHAO Anran, ZOU Jiajia, LUO Xuan, LIN Xiao, WANG Lisheng, LIN Cuiwu. Synthesis, In vitro Coagulation Activities and Molecular Docking Studies on Three L-Histidine Amide Derivatives[J]. 高等学校化学研究, 2018, 34(1): 90-94.

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Synthesis, In vitro Coagulation Activities and Molecular Docking Studies on Three L-Histidine Amide Derivatives

Synthesis, In vitro Coagulation Activities and Molecular Docking Studies on Three L-Histidine Amide Derivatives

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