MDM2 and scorpion active peptide BmK AGP-SYPU2 mode of action prediction
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- 英文论文题名：MDM2 and scorpion active peptide BmK AGP-SYPU2 mode of action prediction
- 论文作者：Yuna Chen ; Yongshan Zhao
- 英文论文作者：Yuna Chen ; Yongshan Zhao ; School of Life Science and Bio-Pharmaceutics ; Shenyang Pharmaceutical University
- 年：2016
- 作者机构：School of Life Science and Bio-Pharmaceutics, Shenyang Pharmaceutical University;
- 英文论文关键词：anti-tumor ; p53-MDM2 inhibitors ; BmK AGP-SYPU2 ; Molecule docking ; ITC
- 会议召开时间：2016-07-01
- 会议录名称：中国化学会第30届学术年会摘要集-第二十八分会：化学生物学
- 语种：英文
- 分类号：TQ460.1
- 学会代码：ZGHY
- 会议名称：中国化学会第30届学术年会-第二十八分会 ; 化学生物学
- 会议地点：中国辽宁大连
- 主办单位：中国化学会
- 学会名称：中国化学会
- 页数：1
- 文件大小：48k
- 原文格式：D
- 会议级别：全国
摘要
Currently,cancer is one of the major high incidence diseases that threat to human health.MDM2 protein can inhibit biological function of p53 protein and lead to the occurrence and development of the tumor.For exploring the drugs possibility of scorpion active peptide SYPU2based on MDM2 targets,this study investigate the interaction between SYPU2 and MDM2.First,we used of ZDOCK method to predict the possible binding mode of the MDM2 and BmK AGP-SYPU2(Fig 1),and calculated Gibbs free energy of-6.17 kcal/mol.Then,we had determined the binding kinetics of MDM2p and BmK AGP-SYPU2 by Isothermal Titration Calorimetry(ITC)(Fig 2).The result explored the possible action mechanism of the two kinds of peptides,and further accounted for a certein affinity between MDM2 and BmK AGP-SYPU2.In conclusion,BmK AGP-SYPU2 can be used as candidates for antitumor biological drugs.
Currently,cancer is one of the major high incidence diseases that threat to human health.MDM2 protein can inhibit biological function of p53 protein and lead to the occurrence and development of the tumor.For exploring the drugs possibility of scorpion active peptide SYPU2 based on MDM2 targets,this study investigate the interaction between SYPU2 and MDM2.First,we used of ZDOCK method to predict the possible binding mode of the MDM2 and BmK AGP-SYPU2(Fig 1),and calculated Gibbs free energy of-6.17 kcal/mol.Then,we had determined the binding kinetics of MDM2 p and BmK AGP-SYPU2 by Isothermal Titration Calorimetry(ITC)(Fig 2).The result explored the possible action mechanism of the two kinds of peptides,and further accounted for a certein affinity between MDM2 and BmK AGP-SYPU2.In conclusion,BmK AGP-SYPU2 can be used as candidates for antitumor biological drugs.
Currently,cancer is one of the major high incidence diseases that threat to human health.MDM2 protein can inhibit biological function of p53 protein and lead to the occurrence and development of the tumor.For exploring the drugs possibility of scorpion active peptide SYPU2 based on MDM2 targets,this study investigate the interaction between SYPU2 and MDM2.First,we used of ZDOCK method to predict the possible binding mode of the MDM2 and BmK AGP-SYPU2(Fig 1),and calculated Gibbs free energy of-6.17 kcal/mol.Then,we had determined the binding kinetics of MDM2 p and BmK AGP-SYPU2 by Isothermal Titration Calorimetry(ITC)(Fig 2).The result explored the possible action mechanism of the two kinds of peptides,and further accounted for a certein affinity between MDM2 and BmK AGP-SYPU2.In conclusion,BmK AGP-SYPU2 can be used as candidates for antitumor biological drugs.
引文
[1]McBride O,Merry D,Givol D.The gene for human p53 cellular tumor antigen is located on chromosome 17short arm(17pl3)[J].Proceedings of the National Academy of Sciences,1986,83(1):130-134.
[2]Miyamoto S,Kollman PA.SETTLE:an analytical version of the SHAKE and RATTLE algorithm for rigid water models[J].Journal of computational chemistry,1992,13(8):952-962.
[3]Davidchack RL,Handel R,Tretyakov M.Langevin thermostat for rigid body dynamics[J].The Journal of chemical physics,2009,130(23):234101.
[2]Miyamoto S,Kollman PA.SETTLE:an analytical version of the SHAKE and RATTLE algorithm for rigid water models[J].Journal of computational chemistry,1992,13(8):952-962.
[3]Davidchack RL,Handel R,Tretyakov M.Langevin thermostat for rigid body dynamics[J].The Journal of chemical physics,2009,130(23):234101.