Table 1 Pharmacophore of salicylic acid in crystal structure of 5F1A, reference drug, MCM and MCFA
Compound | Visualization | Pharmacophore |
|---|---|---|
Salicylic acid (5F1A) |
| 1HD 3HA 1HP 1NI 1ARO |
Aspirin |
| 4HA 2HP 1NI 1ARO |
Ibuprofen |
| 2HA 3HP 1NI 1ARO |
Paracetamol |
| 2HD 2HA 2HP 1ARO |
Monocaproin |
| 2HD 3HA 2HP |
Monocaprylin |
| 2HD 3HA 3HP |
Monocaprin |
| 2HD 3HA 4HP |
Monolaurin |
| 2HD 3HA 5HP |
Monomyristin |
| 2HD 3HA 5HP |
Caproic acid |
| 2HA 2HP 1NI |
Caprylic acid |
| 2HA 3HP 1NI |
Capric acid |
| 2HA 4HP 1NI |
Lauric acid |
| 2HA 5HP 1NI |
Myristic acid |
| 2HA 5HP 1NI |
Aspirin |
| 4HA 2HP 1NI 1ARO |
Ibuprofen |
| 2HA 3HP 1NI 1ARO |
Paracetamol |
| 2HD 2HA 2HP 1ARO |
