Ikhane, Albert O.Sithole, Siphesihle Z.Cele, Nkosinathi D.Osunsanmi, Foluso OluwagbemigaMosa, Rebamang AnthonyOpoku, Andrew Rowland2024-08-142024-08-142024-05Ikhane, A.O.; Sithole, S.Z.; Cele, N.D.; Osunsanmi, F.O.; Mosa, R.A.; Opoku, A.R. In Vitro Antioxidant and In Silico Evaluation of the Anti-β-Lactamase Potential of the Extracts of Cylindrospermum alatosporum NR125682 and Loriellopsis cavenicola NR117881. Antioxidants 2024, 13, 608. https://doi.org/10.3390/antiox13050608.2076-3921 (online)10.3390/antiox13050608http://hdl.handle.net/2263/97624DATA AVAILABILITY STATEMENT: The data used to support the findings of this study are available from the corresponding author upon request.Cyanobacteria in recent times have been touted to be a suitable source for the discovery of novel compounds, including antioxidants and antibiotics, due to their large arsenal of metabolites. This study presents the in vitro antioxidant and in silico evaluation of Cylindrospermum alatosporum NR125682 and Loriellopsis cavenicola NR117881, isolated from freshwater ponds around the campus of the University of Zululand, South Africa. The isolates were confirmed using 16S rRNA. Various crude extracts of the isolated microbes were prepared through sequential extraction using hexane, dichloromethane, and 70% ethanol. The chemical constituents of the crude extracts were elucidated by FTIR and GC-MS spectroscopy. The antioxidant potential of the extracts was determined by the free radical (DPPH, ABTS, •OH, and Fe2+) systems. Molecular docking of the major constituents of the extracts against β-lactamase was also evaluated. GC-MS analysis indicated the dominating presence of n-alkanes. The extracts exhibited varying degrees of antioxidant activity (scavenging of free radicals; an IC50 range of 8–10 µg/mL was obtained for ABTS). A good binding affinity (−6.6, −6.3 Kcal/mol) of some the organic chemicals (diglycerol tetranitrate, and 2,2-dimethyl-5- (3-methyl-2-oxiranyl)cyclohexanone) was obtained following molecular docking. The evaluated antioxidant activities, coupled with the obtained docking score, potentiates the antimicrobial activity of the extracts.en© 2024 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https:// creativecommons.org/licenses/by/ 4.0/).β-lactamaseCyanobacteriaMolecular dockingAntioxidantsGC-MSSDG-03: Good health and well-beingSDG-15: Life on landArticle