Table 3. Optimal detected targets combined with their prescription drugs for the multiobjective drug discovery problem to remedy the most severe dopamine deficiency.
Disease | T* | A* | V* | Detected target | Specified target (Prescription drugs) |
---|---|---|---|---|---|
VM95 | 0.574 | 0.611 | 0.574 | α13, α15, α16, α60 | — |
0.425 | 0.493 | 0.425 | α13, α15 | ut (Diet control) | |
0.588 | 0.588 | 0.588 | α13, α15, α31, α60 | ul (Madopar, Sinemet) | |
0.605 | 0.605 | 0.605 | α13, α15, α31, α61 | ud (Bromocriptine, Pergolide, Pramipexole, Ropinirole) | |
0.626 | 0.626 | 0.626 | α13, α15, α31, α61 | α22, α26 (Entacapone, Tolcapone) | |
0.576 | 0.611 | 0.576 | α13, α16, α60 | α15, α23, α24 (Selegiline, Rasagiline) | |
TH100 | 0.651 | 0.588 | 0.588 | α2, α8, ut, ul, ud | — |
0.651 | 0.588 | 0.588 | α2, α8, ul, ud | ut (Diet control) | |
0.651 | 0.588 | 0.588 | α2, α8, ut, ud, | ul (Madopar, Sinemet) | |
0.651 | 0.588 | 0.588 | α2, α8, ut, ul | ud (Bromocriptine, Pergolide, Pramipexole, Ropinirole) | |
0.503 | 0.682 | 0.508 | α2, α8, ut, ul | α22, α26 (Entacapone, Tolcapone) | |
0.637 | 0.637 | 0.637 | α2, α8, ut, ul, ud | α15, α23, α24 (Selegiline, Rasagiline) |
The current prescription drugs for PD treatment are shown in parentheses. VM95 reflect 95% deficiency of VMAT2 and TH100 indicate 100% deficiency of TH. Furthermore, ut, ul, and ud denote the external control for tyrosine, L-DOPA, and intracellular dopamine, respectively. αj is the enzyme activity for the jth reaction rate. T, A, and V denote the satisfaction grade for therapeutic, adverse, and variation effects, respectively.
* indicates the optimal solution.