Research Article
[Retracted] Screening of Prospective Plant Compounds as H1R and CL1R Inhibitors and Its Antiallergic Efficacy through Molecular Docking Approach
Table 2
Chemoinformatics properties of top 10/10 compounds of H1R and CL1R.
| Compound ID | MW | HBD | | Mol Vol | PSA (A2) | H1R | CL1R | H1R | CL1R | H1R | CL1R | H1R | CL1R | H1R | CL1R | H1R | CL1R |
| 10054216 | 11843082 | 494.87 | 446.41 | 3 | 5 | 8.28 | 0.95 | 499.87 | 373.70 | 113.29 | 159.05 | 393471 | 72284 | 496.89 | 456.69 | 4 | 4 | 8.41 | 0.40 | 499.75 | 433.98 | 116.45 | 447.10 | 71448939 | 5282102 | 447.12 | 448.38 | 5 | 5 | -0.50 | 0.12 | 460.62 | 364.19 | 307.37 | 190.28 | 10722577 | 66559251 | 490.93 | 456.71 | 3 | 2 | 8.80 | 6.29 | 480.50 | 472.11 | 105.46 | 49.69 | 442614 | 102506430 | 344.32 | 499.63 | 3 | 5 | 1.59 | 5.59 | 289.93 | 492.83 | 121.13 | 147.67 | 10436583 | 10365031 | 496.50 | 424.49 | 5 | 4 | 3.58 | 5.87 | 438.78 | 393.20 | 167.90 | 107.22 | 71306915 | 10742453 | 498.96 | 456.54 | 5 | 4 | 1.02 | 4.96 | 500.10 | 424.98 | 234.30 | 116.45 | 11968893 | 6476337 | 469.05 | 452.65 | 5 | 5 | 2.40 | 0.39 | 240.38 | 477.55 | 240.38 | 223.31 | 44566649 | 10746683 | 444.89 | 438.93 | 5 | 4 | 4.58 | 8.03 | 177.13 | 456.55 | 177.13 | 125.69 | 161538 | 44479224 | 468.50 | 298.29 | 3 | 2 | -0.64 | 2.74 | 148.83 | 258.38 | 148.83 | 79.90 |
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