Table 1.
Details of selected drugs with their physicochemical information for the molecular interaction analysis.
| S.No. | Drug Name | Molecular Formula | Molecular Weight | Chemical Structure | SMILES IDs | PubChem IDs |
|---|---|---|---|---|---|---|
| Azithromycin | C38H72N2O12 | 749 g/mol |  |
CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O | CID:447043 | |
| Doxorubicin | C27H29NO11 | 543.5 g/mol |  |
CC1C(C(CC(O1)OC2CC(CC3 = C2C(=C4C(=C3O)C(=O)C5 = C(C4 = O)C(=CC = C5)OC)O)(C(=O)CO)O)N)O | CID:31703 | |
| Exemestane | C20H24O2 | 296.4 g/mol |  |
CC12CCC3C(C1CCC2 = O)CC(=C)C4 = CC(=O)C = CC34C | CID:60198 | |
| Gatifloxacin | C19H22FN3O4 | 375.4 g/mol |  |
CC1CN(CCN1)C2 = C(C = C3C(=C2OC)N(C = C(C3 = O)C(=O)O)C4CC4)F | CID:5379 | |
| Sulbactam | C8H11NO5S | 233.24 g/mol |  |
CC1(C(N2C(S1(=O) = O)CC2 = O)C(=O)O)C | CID:130313 | |
| Tobramycin | C18H37N5O9 | 467.5 g/mol |  |
C1C(C(C(C(C1N)OC2C(C(C(C(O2)CO)O)N)O)O)OC3C(CC(C(O3)CN)O)N)N | CID:36294 |