Identification of Potential Metabolites in Chlorella Species and Oscillatoria Species for Treatment of Multidrug Resistant (MDR) Infections: An In Silico Analysis
Author(s): Abubucker Peer Mohideen*
The emergence of new infectious agents with antimicrobial resistance (AMR) is threatening the whole world. Multidrug resistant (MDR) bacterial infections are found to be an alarming global crisis with limited availability of antibiotics. The MDR co-infection among COVID-19 infected patients led to higher mortality rates, which increased the necessity for development of novel antibacterial agents with a broad spectrum of activity. Microalgae metabolites serve as an untapped potential source with a wide range of biological activities. The present study concentrates on the identification of novel antibacterial microalgal metabolites in Oscillatoria sp and Chlorella sp. The compounds were retrieved from the KNApSAck database. Tyrosyl-tRNA synthetase and DNA Gyrase were used as the dual target proteins. Molecular docking and protein-ligand interactions were performed to identify the compounds with higher binding energies (>-7 kcal/mol). Further, the compounds were analyzed for Druglikness (RO5), PASS Predictions and ADMET analysis. From the analysis, 12, 13-Trans-Epoxy-9-oxo-10E, 15Z-octadecadienoic acid, Ergosta-8, (9) 14-dien-3beta-ol, Jasmonic acid, Methyl jasmonate, and Poriferasterol were identified with potential binding energy, interactions, and drug likeness properties. All the selected compounds showed significant ADME properties when compared with the standard drug Azithromycin and were found to be non-toxic/carcinogen. In conclusion, the identified six compounds can be utilized for the development of novel antibacterial drugs for the treatment of MDR infections.