对取代苯脒与胰蛋白酶相互作用中的电子效应：取代基中心原子处的π电子密度在结合中的作用。 - Suppr

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超能文献

Electronic effects in the interaction of para-substituted benzamidines with trypsin: the involvement of the pi-electronic density at the central atom of the substituent in binding.

作者信息

Mares-Guia M, Nelson D L, Rogana E

出版信息

J Am Chem Soc. 1977 Mar 30;99(7):2331-6. doi: 10.1021/ja00449a051.

DOI:10.1021/ja00449a051

PMID:864136

Abstract

摘要

相似文献

Electronic effects in the interaction of para-substituted benzamidines with trypsin: the involvement of the pi-electronic density at the central atom of the substituent in binding.对取代苯脒与胰蛋白酶相互作用中的电子效应：取代基中心原子处的π电子密度在结合中的作用。

J Am Chem Soc. 1977 Mar 30;99(7):2331-6. doi: 10.1021/ja00449a051.

[Quantum chemical studies on substituted benzamidines as inhibitors of the serine proteinases trypsin and thrombin].[关于取代苯甲脒作为丝氨酸蛋白酶胰蛋白酶和凝血酶抑制剂的量子化学研究]

Pharmazie. 1983 May;38(5):342-6.

Inhibition of four human serine proteases by substituted benzamidines.

J Med Chem. 1978 Dec;21(12):1202-7. doi: 10.1021/jm00210a006.

Irreversible enzyme inhibitors. CXV. Proteolytic enzymes. V. Active-site-directed irreversible inhibitors of trypsin derived from p-(phenoxyalkoxy) benzamidines with a terminal sulfonyl fluoride.不可逆酶抑制剂。CXV. 蛋白水解酶。V. 源自对（苯氧基烷氧基）苯甲脒并带有末端磺酰氟的胰蛋白酶活性位点导向不可逆抑制剂。

J Med Chem. 1968 Mar;11(2):245-9. doi: 10.1021/jm00308a011.

Novel bis(benzamidino) compounds with an aromatic central link. Inhibitors of thrombin, pancreatic kallikrein, trypsin, and complement.具有芳香族中心连接键的新型双（苯甲脒）化合物。凝血酶、胰激肽释放酶、胰蛋白酶和补体的抑制剂。

J Med Chem. 1976 May;19(5):634-9. doi: 10.1021/jm00227a011.

[Synthetic inhibitors of serine proteinases. Part 25: Inhibition of trypsin, plasmin and thrombin by amides of N alpha-substituted amidinophenylalanines and 3-amidinophenyl-3-aminopropionic acids (author's transl)].[丝氨酸蛋白酶的合成抑制剂。第25部分：Nα-取代脒基苯丙氨酸和3-脒基苯基-3-氨基丙酸的酰胺对胰蛋白酶、纤溶酶和凝血酶的抑制作用（作者译）]

Pharmazie. 1981 Sep;36(9):639-41.

Irreversible enzyme inhibitors. CXLIV. Proteolytic enzymes. VII. Additonal active-site-directed irreversible inhibitors of trypsin derived from m- and p-(phenoxyalkoxy)benzamidines with a terminal sulfonyl fluoride.

J Med Chem. 1969 Jan;12(1):112-7. doi: 10.1021/jm00301a029.

[Hansch analysis of the inhibitory action of 3- and 4-substituted benzamidines on thrombin, plasmin and trypsin (author's transl)].3-和4-取代苯甲脒对凝血酶、纤溶酶和胰蛋白酶抑制作用的汉斯ch分析（作者译）

Pharmazie. 1979 Oct;34(10):649-53.

Inhibition of bovine beta-trypsin, human alpha-thrombin and porcine pancreatic beta-kallikrein-B by benzamidine and its bis-, tris- and tetra-derivatives: thermodynamic and molecular modeling study.苯甲脒及其双、三、四衍生物对牛β-胰蛋白酶、人α-凝血酶和猪胰β-激肽释放酶-B的抑制作用：热力学和分子模拟研究

Farmaco. 1991 Nov;46(11):1297-310.

The substituent effect on complex formation between alpha-trypsin and para-substituted benzamidinium ions: a thermodynamic study.取代基对α-胰蛋白酶与对取代苯甲脒离子之间络合物形成的影响：一项热力学研究。

Braz J Med Biol Res. 1989;22(10):1177-90.

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Nat Protoc. 2022 Apr;17(4):1114-1141. doi: 10.1038/s41596-021-00676-1. Epub 2022 Mar 11.

Calculation of protein-ligand binding free energy by using a polarizable potential.使用可极化势计算蛋白质-配体结合自由能。

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Profiling charge complementarity and selectivity for binding at the protein surface.分析电荷互补性及在蛋白质表面结合的选择性。

Biophys J. 2003 May;84(5):2883-96. doi: 10.1016/S0006-3495(03)70016-2.

The application of three approximate free energy calculations methods to structure based ligand design: trypsin and its complex with inhibitors.三种近似自由能计算方法在基于结构的配体设计中的应用：胰蛋白酶及其与抑制剂的复合物

J Comput Aided Mol Des. 1998 May;12(3):215-27. doi: 10.1023/a:1007905722422.

Enzyme-inhibitor association thermodynamics: explicit and continuum solvent studies.酶-抑制剂结合热力学：显式溶剂与连续介质溶剂研究

Biophys J. 1997 Feb;72(2 Pt 1):522-32. doi: 10.1016/s0006-3495(97)78692-2.

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