Patent ID: 7337073

Claim:
An activity evaluation method for a drug candidate agent comprising: setting as k analysis points one or more atoms among atoms constituting a drug candidate agent, wherein the drug candidate agent is a forskolin derivative; calculating an activity of said drug candidate agent with respect to a protein, wherein the protein is an adenylate cyclase, based on a predetermined evaluation expression having Fukui function values as variables obtained by numerical calculation for the analysis points; and comparing said activity obtained from the calculation with the same activity of said drug candidate agent with respect to said protein obtained from an experiment, wherein a first Fukui function value f k + showing a nucleophilic reaction and a second Fukui function value f k − showing an electrophilic reaction are obtained by means of numerical calculation for each of said k analysis points, and wherein an activity P of said drug candidate agent with respect to said protein is calculated based on the following evaluation expression (5) composed of a first coefficient D k + related to said first Fukui function value f k + , and a second coefficient D k − related to said second Fukui function value f k − : P = ∑ k = 1 n ⁢ ( D k + · f k + + D k - · f k - ) ( 5 ) (where n is the total number of analysis points k); and wherein the results of the calculations are outputted to a user.