Antimicrobial and antioxidant properties of Oldenlandia corymbosa L. ethanolic extract: A comprehensive study with molecular docking and GC-MS analysis

Oldenlandia corymbosa L. plant decoction is popular among people of the Indian subcontinent for treating internal and external infection and inflammation. This present work represented the antimicrobial and antioxidant activity along with GCMS and HPLC analysis of the ethanol extract of the aerial part of Oldenlandia corymbosa L. Molecular docking of the identified compounds by GCMS analysis was performed to justify the antimicrobial activity. The total phenolic content (TPC), total flavonoid content (TFC), total antioxidant activity (TAA), and DPPH scavenging activity were analyzed spectrophotometrically. The HPLC and GCMS analysis was performed to estimate polyphenols (gallic acid, catechin, quercetin, and vanillin) and identify possible compounds respectively. The extract was evaluated to inhibit the growth of bacteria and fungi. Molecular docking was carried out against fungal proteins 1,4-α-D-glucan gluco hydrolase and 1,3-beta-glucanase as well as against for antibacterial study. The TPC, TFC, and TAA were found to be 141.11, 134.87, and 177.88 mg/g extract respectively, and the extract scavenged DPPH at 78.54 %. Gallic acid had the highest value (67.5 mg/g) compared to other polyphenols. The maximum zone of inhibition was found 32.23 mm and 21 mm against E.coli. and A.niger respectively. The molecular docking study of compounds screened by GCMS such as 2-Propanol, 1-(isooctyloxy)-2-methyl denoting −6.6 kj/mol binding affinity remarks itself as promising for the interaction of the respective protein of bacteria. Similarly, 2-Dodecanol, 2-methyl- showed −6.2 kj/mol binding affinity against glucanase protein of bacteria. The observed antimicrobial and antioxidant properties indicate the potential for drug development applications.