Table 7.
The total number of interaction types of cucurbitacin I, momordin Ic, and reference standard (acarbose) against α-amylase and α-glucosidase after 140 ns.
| Ligands | Total number of interactions (average distance) | Number of hydrogen bonds (average distance) and interaction residues | Other important interactions (average distance) and interaction residues |
|---|---|---|---|
| α-amylase | |||
| Cucurbitacin I | 26 (4.95 Å) | 6 (4.70 Å) [Arg 194, Asp 299 (2), Asp 196, Hie 304, Hie 298] | 6 (5.20 Å) [Phe255, Ile234 (2), Hie304 (2), Trp58] |
| Momordin Ic | 34 (4.98 Å) | 4 (4.43 Å) [Asn297, Asp196 (3)] | 10 (5.19 Å) [Ile234 (3), Lys199, Hie200 (2), Leu161, Tyr150, Leu236 (2)] |
| Acarbose | 18 (4.38 Å) | 8 (4.09 Å) [Ala306 (2), Asp299 (3), Hie304 (2), Gly305] | 2 (5.57 Å) [Leu161, Leu164] |
| α-glucosidase | |||
| Cucurbitacin I | 15 (5.82 Å) | 3 (5.42 Å) [Lys433, Trp297, Glu357] | 3 (6.22 Å) [Ile301, Hie403, Trp297] |
| Momordin Ic | 29 (4.30 Å) | 11 (4.00 Å) [Thr310, Asp311 (2), Glu364, Trp366, Asn369 (2), Ser183, Thr314 (2), Phe367] | 7 (4.76 Å) [Ile301, Phe502 (3), Tyr499 (2), Phe367] |
| Acarbose | 26 (4.62 Å) | 13 (4.54 Å) [Glu405 (2), Trp363, Ala308, Met300 (2), Glu474 (2), Glu364, Glu498 (3), Ser306] | 2 (5.16 Å) [Phe367, Glu498] |