Research Article
Interaction of Glucagon G-Protein Coupled Receptor with Known Natural Antidiabetic Compounds: Multiscoring In Silico Approach
Table 3
Change is ASA (Å2) of important active site residues of GCGR.
| Complexed/uncomplexed | Y145 | K187 | V191 | I194 | M231 | Q232 | I235 | L307 | V311 | E362 | V363 | F365 | L386 |
| 4L6R (UC) | 32.032 | 16.624 | 14.878 | 11.591 | 32.642 | 40.005 | 25.348 | 25.793 | 32.228 | 35.789 | 45.668 | 82.247 | 48.372 | 4L6R (complexed with curcumin) | 4.39 | 2.329 | 0 | 0.439 | 9.531 | 35.199 | 0.574 | 11.298 | 12.427 | 3.194 | 45.668 | 44.311 | 5.973 | 4L6R (complexed with 4-hydroxyderricin) | 17.71 | 2.547 | 0 | 0.006 | 0.767 | 18.509 | 0 | 10.332 | 19.146 | 7.45 | 45.668 | 43.348 | 15.966 | 4L6R (complexed with amorfrutin 1) | 32.032 | 1.797 | 6.628 | 11.591 | 9.363 | 22.045 | 0 | 1.915 | 0.657 | 0.423 | 36.381 | 41.514 | 28.608 |
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