Research Article
Unveiling Neuroprotective Potential of Spice Plant-Derived Compounds against Alzheimer’s Disease: Insights from Computational Studies
Table 2
Pharmacological profile of the top 10 potential candidates for AChE that were derived from SwissADME and admetSAR web server.
| | Compounds | MW (g/mol) | Num. of H-bondacceptors | Num. of H-bonddonors | MlogP | Molar refractivity | TPSA (Å2) | AMES toxicity | Carcinogens | Violation |
| AChE | Fmoc-His(Trt)-Wang resin | 603.71 | 4 | 1 | 4.64 | 178.48 | 73.22 | None | None | 2 | Cucurbitaxanthin A | 584.87 | 3 | 2 | 6.15 | 186.28 | 49.69 | None | None | 2 | (3R,3R,15-cis)-b,b-carotene-3,3-diol | 568.87 | 2 | 2 | 6.96 | 186.76 | 40.46 | None | None | 2 | Epsilon-carotene | 536.87 | 0 | 0 | 8.96 | 184.43 | 0 | None | None | 2 | Quercetin | 302.24 | 7 | 5 | -0.56 | 78.03 | 131.36 | None | None | 0 | Quercetin-3-glucuronide | 478.36 | 13 | 8 | -2.6 | 110.77 | 227.58 | None | None | 2 | Myricetin | 318.24 | 8 | 6 | -1.08 | 80.06 | 151.59 | None | None | 1 | Folic acid | 441.4 | 9 | 6 | -0.62 | 111.92 | 213.28 | None | None | 2 | Quercetin 3-O-glucuronide | 478.36 | 13 | 8 | -2.6 | 110.77 | 227.58 | None | None | 2 | Luteolin | 286.24 | 6 | 4 | -0.03 | 76.01 | 111.13 | None | None | 0 |
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