| Autor: |
Matshwele, James T. P., Jongman, Mosimanegape, Demissie, Taye B., Koobotse, Moses O., Mazimba, Ofentse, Mapolelo, Daphne, Bati, Keagile, Julius, Lebogang G., Nkwe, David O., Nareetsile, Florence, Odisitse, Sebusi |
| Zdroj: |
Chemistry Africa; 20230101, Issue: Preprints p1-11, 11p |
| Abstrakt: |
As bacterial resistance increases, more effective antibiotics are needed, necessitating drug discovery research. Therefore, in this paper we discuss the potential modes of action of two organic compounds, 4-(pyridin-4-ylmethoxy)aniline (L2) and pyridin-4-ylmethyl 4-aminobenzoate (L1) as antibacterial agents against Klebsiella pneumoniae, which were both studied in vitro. The folic acid production assay showed that the compound L1was more effective than L2and silver sulfadiazine AgSD(control) at inhibiting folic acid production. The compounds had better binding scores than the DHPS binding substrate para-amino benzoic acid (PABA), according to the molecular docking studies, and L1was able to bind to the PABA binding pocket, demonstrating competitive antagonism. Moreover, the molecular docking data for AgSDand L1were found to be in good agreement with the corresponding experimental results. On the other hand, AgSDwas better in affecting the integrity of the bacterial membrane as this is its primary mode of action. L2and L1showed a significant amount of AKP release than the vehicle control, suggesting that this may also be a potential mode of action of compounds with their pharmacophores. The binding energies of these compounds corroborated with the AKP release data, these were − 5.70, − 5.52 and − 5.27 kcal/mol for AgSD, L1and L2respectively, showing that AgSDwas the best followed by L1and L2. |
| Databáze: |
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