Table 2.
The potential bioactivity screening results of compound 1.
| Pharmacophore | Name of pharmacophore | Type | Fit value | Biological function(s) | Reference |
|---|---|---|---|---|---|
| 2zb8-01-s | Prostaglandin reductase 2 | Protein | 4.05271 | Inflammation | [14] |
| 3kjs-01 | Dihydrofolate reductase-thymidylate synthase | Protein | 3.9615 | Malarial parasites, anticancer, and inflammation | [15–17] |
| 2uue-01 | Cell division protein kinase 2 | Protein | 3.60758 | Cell division | [18, 19] |
| 2w4i-01-s | Glutamate racemase | Protein | 3.55547 | Antibiotics | [20–24] |
| 3k6l-01 | Peptide deformylase | Protein | 3.51102 | Antibiotic | [25, 26] |
| 3md7-01 | beta-lactamase-like | Protein | 3.41887 | Antibiotic | [27, 28] |
| 2ovy-01 | Phosphodiesterase 10A | Protein | 3.41834 | Schizophrenia and nervous system |
[29–31] |
| 3ac8-01 | Protooncogene tyrosine-protein kinase LCK | Protein | 3.39142 | Antitumor | [32, 33] |
| 3f7z-01 | G17 glycogen synthase kinase-3-beta | Protein | 3.30076 | Antitumor and neurodegenerative disease | [34] |
| 3cgy-01 | Virulence sensor histidine kinase phoQ | Protein | 3.28695 | Antibiotic | [35, 36] |
| 2qe5-01 | RNA-directed RNA polymerase | Protein | 3.28198 | Antivirus | [37, 38] |
| 1dvx-01 | Transthyretin | Protein | 3.27421 | Antitumor and obesity | [39, 40] |
| 2brc-01 | ATP-dependent molecular chaperone HSP90 | Protein | 3.26648 | Antitumor and antivirus | [41, 42] |
| 1c1b-01-s | HIV-1 reverse transcriptase (A-chain) | Protein | 3.25549 | Anti-HIV | [43–45] |