Table 7.
Molecular docking studies of all 6 drug target proteins.
| Compound name | Compound PubChem ID | AutoDock Vina binding affinity | No. of H-bond/interacted residues |
|---|---|---|---|
| RNA editing complex protein M18 | |||
| Diospirin | CID308140 | -7.5 | 2/GLU89, SER140 |
| Hypothetical protein TCDM_03925 | |||
| (1R)-1,6,6-Trimethyl-1,2,7,8-tetrahydronaphtho[1,2-g][1]benzofuran-9,10,11-trione | CID9995530 | -7.9 | 2/ARG641 |
| Inosine-guanine nucleoside hydrolases | |||
| Emodin | CID3220 | -9.6 | 5/ASP15, TRP60, ASN40 |
| Mitochondrial RNA-binding protein 1 | |||
| (1R)-1,6,6-Trimethyl-1,2,7,8-tetrahydronaphtho[1,2-g][1]benzofuran-9,10,11-trione | CID9995530 | -9.1 | 4/THR45, GLN60 |
| Calpain-like cysteine peptidase | |||
| Usambarensine | CID5281413 | -7.3 | 1/GLU42 |
| Trans-sialidase | |||
| Usambarensine | CID5281413 | -9.4 | 1/THR155 |