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DFT-Based Prediction of Anti-Leishmanial Activity of Carboxylates and Their Antimony(III) Complexes Against Five Leishmanial Strains
Online Journal of Microbiological Research
| Vol 1, Issue 1
Table 6. Anti-leishmanial activity of compounds in term of IC50 (μg/mL)against L. donovani
| Compd. No | I.P. | S | IC50 | Δ | |
| Exp. b | Pred. c | ||||
| 1 | 5.952 | 0.309 | 0.39 | 0.279 | 0.111 |
| 2 | 5.796 | 0.290 | 0.31 | 0.322 | -0.012 |
| 3 | 5.911 | 0.268 | 0.32 | 0.347 | -0.027 |
| 4 | 5.885 | 0.328 | 0.20 | 0.255 | -0.055 |
| 5 | 6.709 | 0.298 | 0.24 | 0.241 | -0.001 |
| 6 | 22.303 | -0.498 | 0.29 | 0.334 | -0.044 |
| 7 | 20.499 | -0.379 | 0.33 | 0.281 | 0.049 |
| 8 | 5.853 | 0.414 | 0.10 | 0.121 | -0.021 |
| Δ is residual, bExperimental biological activity in terms of IC50 against L. donovani, cTheoretical activity of compounds in terms of IC50 against L. donovani as scanned from Eq.5 | |||||