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There is always an increasing demand for natural remedies from natural sources which can substitute the synthetic therapeutic drugs and lessen their side effects. The present study aims to investigate the antioxidant, anti-inflammatory, antimicrobial properties and in silico docking study of Citrus macroptera leaf (CML) extract in both in vivo and in vitro aspect. The antioxidant and anti-inflammatory potential of crude extract was investigated in vitro and in vivo on Wistar albino rat. The antioxidant potentiality also investigated on HepG2 cell line. Antimicrobial activity was evaluated against Staphylococcus sp. and Klebsiella sp. Chemical compounds of the crude extract were identified by GC-MS analysis. In silico docking was also done against NF-ҡB protein. At 200 μg/ml concentration, CML significantly scavenges reactive oxygen species (ROS) which was generated on HepG2 cell line. CML showed 71% anti-inflammatory activity (p ≤ 0.001) against carrageenan-induced paw edema in albino Wistar rats. CML extract is very effective against staphylococcus sp. than Klebsiella sp. In the docking analysis, the proximadiol and menthone had − 5.6 kcal/mol and − 5.7 kcal/mol binding affinity with the protein NF-ҡB. In the present work, CML provided notable antioxidant, anti-inflammatory, and antimicrobial activity. This activity was confirmed by both in vitro and in vivo followed by in silico docking technique. Overall, the experimental results presented in this study suggest that crude extract of CML could be used as a promising antioxidant and anti-inflammatory candidate with potential benefits.

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Potent bioactive methanolic extract of wild orange (Citrus macroptera Mont.) shows antioxidative, anti-inflammatory, and antimicrobial properties in in vitro, in vivo, and in silico studies