Drug-target名词解释

Ref: https://zhuanlan.zhihu.com/p/136004931
https://www.sohu.com/a/111632638_177233

SAR: structure-activity relationship 构效关系
the relationship between the chemical structure of a molecule and its biological activity.

QSAR: quantitative structure–activity relationships
,QSAR regression models relate a set of "predictor" variables (X) to the potency of the response variable (Y), while classification QSAR models relate the predictor variables to a categorical value of the response variable.

A QSAR has the form of a mathematical model:

• Activity = f(physiochemical properties and/or structural properties) + error

IC50: half maximal inhibitory concentration 半抑制浓度（或称半抑制率）
An IC50 measurement tells us the concentration at which a drug is able to inhibit a particular biological process by 50%. For example, if compound A can inhibit 50% of the binding of a ligand to a particular receptor at a concentration of 5 nM, it would have an IC50 value of 5 nM.
它能指示某一药物或者物质（抑制剂）在抑制某些生物程序（或者是包含在此程序中的某些物质，比如酶，细胞受体或是微生物）的半量。
在结合率为50%时所对应的抑制物质的浓度就叫做IC50。一般IC50的数值越小，说明抗体的特异性能越强。

EC50：半数有效浓度（对应下图），Y 轴的研究指标随浓度递增。
IC50：半数抑制浓度（对应上图），Y 轴的研究指标随浓度递减。

image.png

pIC50: the negative log of the IC50 value in molar
An IC50 of 1 µM is 10-6 M, which is pIC50 = 6.0
An IC50 of 1 nM is 10-9 M, which is pIC50 = 9.0
An IC50 of 10 nM is 10-8 M, which is pIC50 = 8.0
An IC50 of 100 nM is 10-7 M, which is pIC50 = 7.0
An IC50 of 30 nM is 3 x10-8 M, which is also 10-7.5 M, which is pIC50 = 7.5
因此pIC50越大，抗体特异性越强。

Dose-Response/effect curve: 量效曲线