IC50-to-Ki: a web-based tool for converting IC50 to Ki values for inhibitors of enzyme activity and ligand binding.
IC50-to-Ki: a web-based tool for converting IC50 to Ki values for inhibitors of enzyme activity and ligand binding.
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DOI：
10.1093/nar/gkp253
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发表时间：
2009-07
影响因子：
14.9
通讯作者：
Lebeda FJ
中科院分区：
文献类型：
--
作者：
Cer RZ;Mudunuri U;Stephens R;Lebeda FJ
一种新的网络服务器工具通过实验确定的酶抑制剂和大分子(例如蛋白质、多核酸)与配体之间的结合反应的IC50值来估计KI值。开发这种转换器是为了使最终用户能够帮助衡量这些计算中使用的基本假设的质量，这些假设取决于抑制剂作用机制的类型和相互作用的分子物种的浓度。对于酶-底物或大分子-配体系统的非经典、紧密结合的抑制剂进行了额外的计算，在这些系统中，需要反应物种的自由浓度而不是总浓度。所需的用户定义输入值包括总酶(或另一目标分子)和底物(或配体)浓度、酶-底物(或目标-配体)反应的Km和IC50值。文中还讨论了这些计算的假设和注意事项以及文献中的例子。该转化器的宿主数据库包含蛋白水解性梭状芽胞杆菌神经毒素(http://botdb.abcc.ncifcrf.gov/toxin/kiConverter.jsp).抑制剂的动力学常数和其他数据
A new web-server tool estimates Ki values from experimentally determined IC50 values for inhibitors of enzymes and of binding reactions between macromolecules (e.g. proteins, polynucleic acids) and ligands. This converter was developed to enable end users to help gauge the quality of the underlying assumptions used in these calculations which depend on the type of mechanism of inhibitor action and the concentrations of the interacting molecular species. Additional calculations are performed for nonclassical, tightly bound inhibitors of enzyme-substrate or of macromolecule-ligand systems in which free, rather than total concentrations of the reacting species are required. Required user-defined input values include the total enzyme (or another target molecule) and substrate (or ligand) concentrations, the Km of the enzyme-substrate (or the Kd of the target-ligand) reaction, and the IC50 value. Assumptions and caveats for these calculations are discussed along with examples taken from the literature. The host database for this converter contains kinetic constants and other data for inhibitors of the proteolytic clostridial neurotoxins (http://botdb.abcc.ncifcrf.gov/toxin/kiConverter.jsp).
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影响因子：
4.1
作者：
HENDERSON, PJ
通讯作者：
HENDERSON, PJ
影响因子：
13.8
作者：
CRAIG, DA
通讯作者：
CRAIG, DA
影响因子：
4.7
作者：
FOWLER, CJ;BENEDETTI, MS
通讯作者：
BENEDETTI, MS
影响因子：
7.3
作者：
LAZARENO, S;BIRDSALL, NJM
通讯作者：
BIRDSALL, NJM
影响因子：
--
作者：
Huang, XY
通讯作者：
Huang, XY