Table 2 Docking results between CsMRP4 and bile acids using AutoDock Vina
Bile acids | PubChem ID | Binding energy (kcal/mol) | No. of configurations |
|---|---|---|---|
Taurolithocholic acid (TLCA)a | SID 103579026 | -13.4 | 3 |
Lithocholic acid (LCA) | SID 103542513 | -12.2 | 3 |
Taurochenodeoxycholic acid (TCDCA)a | SID 312642451 | -10.1 | 5 |
Chenodeoxycholic acid (CDCA) | SID 24875071 | -9.9 | 7 |
Taurodeoxycholic acid (TDCA)a | CID 2733768 | -9.7 | 5 |
Taurocholic acid (TCA)a | SID 828139 | -9.3 | 6 |
Glycocholic acid (GCA)a | SID 177011773 | -9.2 | 7 |
Deoxycholic acid (DCA) | CID 222528 | -8.4 | 5 |
Cholic acid (CA)a | SID 223730521 | -8.1 | 5 |