Cav1.2鈣離子通道三維結(jié)構(gòu)的同源建模及其應(yīng)用
發(fā)布時間：2018-07-13 12:34
【摘要】：目的構(gòu)建心肌Cav1.2鈣離子通道三維結(jié)構(gòu)模型,檢驗?zāi)Ｐ偷臏蚀_性與可靠性。方法利用SWISS-MODEL同源建模服務(wù)器,對豚鼠心肌細胞Cav1.2通道α1亞基進行同源建模,建模結(jié)果提交至加州大學(xué)蛋白質(zhì)結(jié)構(gòu)在線檢測服務(wù)器進行檢測評估,并對結(jié)構(gòu)模型進行打分。利用MOE軟件分子對接程序模擬阻斷劑或藥物與Cav1.2通道模型的結(jié)合,進一步驗證通道模型的準確性與可靠性。結(jié)果在SWISS-MODEL服務(wù)器上搜尋到的模板序列Cav1.1α1S與目標序列Cav1.2α1C均為L型鈣通道,序列比對結(jié)果顯示其同源性高達71.5%,選擇自動模式(automated mode)進行同源建模。L型鈣通道阻斷劑維拉帕米、硝苯地平、地爾硫卓能結(jié)合到Cav1.2通道三維結(jié)構(gòu)模型的特定區(qū)域,而鈉通道特異性阻斷劑河豚毒素并未與該模型相結(jié)合,中藥有效成份白花前胡甲素和小檗堿與該模型也有一定的結(jié)合。結(jié)論成功構(gòu)建了心肌Cav1.2鈣離子通道三維結(jié)構(gòu)模型,為后續(xù)研究提供了可靠樣本,也為同源建模在研究離子通道三維結(jié)構(gòu)預(yù)測中的應(yīng)用奠定了基礎(chǔ)。
[Abstract]:Objective to construct a three-dimensional structure model of myocardial Cav1.2 calcium channel, and to test the accuracy and reliability of the model. Method using SWISS-MODEL homologous modeling server, the Cav1.2 channel alpha 1 subunit of guinea pig cardiomyocytes was modeled. The results of the modeling were submitted to the online detection server of protein structure in California University. MOE software molecular docking program is used to simulate the combination of blockers or drugs and Cav1.2 channel models to further verify the accuracy and reliability of the channel model. Results the template sequence of Cav1.1 alpha 1S and the target sequence Cav1.2 alpha 1C on the SWISS-MODEL server are L type calcium channels and sequence alignment results are shown. Its homology is up to 71.5%, and automated mode is selected to model.L type calcium channel blockers, Vera Pammy, nifedipine and diltiazem to a specific region of the three-dimensional structure model of the Cav1.2 channel, while the sodium channel specific blocking agent tetrodotoxin is not combined with the model, and the effective component of the traditional Chinese Medicine is pre white flower Hu Jia In conclusion, the three-dimensional structure model of Cav1.2 calcium channel has been successfully constructed, which provides a reliable sample for the follow-up study. It also lays the foundation for the application of homologous modeling in the study of the three-dimensional structure prediction of ion channels.
【作者單位】： 中國醫(yī)科大學(xué)藥學(xué)院藥物毒理教研室;東北大學(xué)環(huán)境生物學(xué)教研室;
【基金】：國家自然科學(xué)基金資助項目(No 31471091)
【分類號】：R54
本文編號：2119386
[Abstract]:Objective to construct a three-dimensional structure model of myocardial Cav1.2 calcium channel, and to test the accuracy and reliability of the model. Method using SWISS-MODEL homologous modeling server, the Cav1.2 channel alpha 1 subunit of guinea pig cardiomyocytes was modeled. The results of the modeling were submitted to the online detection server of protein structure in California University. MOE software molecular docking program is used to simulate the combination of blockers or drugs and Cav1.2 channel models to further verify the accuracy and reliability of the channel model. Results the template sequence of Cav1.1 alpha 1S and the target sequence Cav1.2 alpha 1C on the SWISS-MODEL server are L type calcium channels and sequence alignment results are shown. Its homology is up to 71.5%, and automated mode is selected to model.L type calcium channel blockers, Vera Pammy, nifedipine and diltiazem to a specific region of the three-dimensional structure model of the Cav1.2 channel, while the sodium channel specific blocking agent tetrodotoxin is not combined with the model, and the effective component of the traditional Chinese Medicine is pre white flower Hu Jia In conclusion, the three-dimensional structure model of Cav1.2 calcium channel has been successfully constructed, which provides a reliable sample for the follow-up study. It also lays the foundation for the application of homologous modeling in the study of the three-dimensional structure prediction of ion channels.
【作者單位】： 中國醫(yī)科大學(xué)藥學(xué)院藥物毒理教研室;東北大學(xué)環(huán)境生物學(xué)教研室;
【基金】：國家自然科學(xué)基金資助項目(No 31471091)
【分類號】：R54
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