The invention discloses a TMPRSS2
protein inhibitor
efficacy prediction calculation method. A scoring function is constructed through a logP value, a virtual docking
score and
living cell inhibitor effect data to predict a
drug inhibition effect. The method specifically comprises the following steps: constructing a TMPRSS2 overexpression
cell model to screen drugs; the
cell viability of various potential inhibitors is detected, and high-
toxicity inhibitors are eliminated through a CCK-8 experiment; using
flow cytometry to detect the
cell average
fluorescence intensity through a TMPRSS2 fluorescent probe to evaluate the
enzyme activity influence of the inhibitor, and calculating the IC30 value; measuring the logP value of an effective inhibitor, and predicting the binding capacity of the effective inhibitor and TMPRSS2 by using Schrodinger
software to obtain a virtual docking
score; and analyzing the relationship among the IC30 value, the logP value and the virtual docking
score, and constructing a scoring function to predict the
drug effect. According to the method, the
drug effect prediction can be simply, conveniently and quickly carried out, the drug screening consumption is reduced, and the drug screening period is shortened.