Table 1 The nineteen top-scoring compounds purchased and tested in vitro
Compounds name | ZINC ID | Average idock score(kcal/mol) | MW (g/Mol) | Clinic usage | Refs |
|---|---|---|---|---|---|
Monatepil | 1,851,142 | − 9.57 | 475.62 | Ca2 + channel antagonist | Ikeno et al. (1998) |
Fluazuron | 2,570,819 | − 10.05 | 506.21 | Insecticides | Bull et al. (1996) |
Temafloxacin | 9,133,461 | − 9.58 | 417.38 | Difluoro quinolone antimicrobial agent | Chin et al. (1988) |
Ketanserin | 537,877 | − 9.36 | 545.51 | A selective 5-HT2 receptor antagonist | Nueten et al. 1981) |
Talniflumate | 1,844,627 | − 10.08 | 414.33 | Inhibitor of humancalcium-activated chloride channels | Donnelly and Rogers (2003) |
Altanserin | 26,174,383 | − 9.58 | 411.49 | The selective 5-hydroxytryptamine2 (5-HT2) receptor antagonist | Sietnieks 1985) |
Dutasteride | 3,932,831 | − 9.58 | 528.53 | Selective inhibition of type 2 5alpha-reductase | Bramson et al. 1997) |
Mizolastine | 13,831,810 | − 9.48 | 432.49 | Selective H1-receptor blocker | Danjou et al. (1992) |
Vanoxerine dihydrochloride | 22,034,135 | − 8.83 | 523.49 | Inhibitor of uptake of dopamine and norepinephrine | Nagase et al. (1987a) |