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. 2016 Oct 13;11(10):e0164589. doi: 10.1371/journal.pone.0164589

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.