Phytochemical Profiling of Citrus Maxima (Brum.) Merr. Essential Oil, its Antibacterial Evaluation and Computational Studies

Background
Citrus maxima (Burm). Merr. (C. maxima) is traditionally used in Ayurveda as sedative and for the treatment of cough, fever, asthma, diarrhoea, ulcers and diabetes. C.maxima peel oil is traditionally used to relieve stress. It ‘s antimicrobial, cardioprotective, hepatoprotective and anti-inflammatory properties make it a versatile remedy. C. maxima hold immense potential for modern therapeutic applications.

Objectives
The current study aims to perform phytochemical profiling, in-vitro anti-bacterial evaluation and in-silico analysis of oil extracted from the peels of Citrus maxima (Brum.) Merr.

Methods
The essential oil from the peel of Citrus maxima (C.maxima) was extracted, and chemical profiling was conducted using Gas Chromatography-Mass Spectrometry (GC–MS). In vitro antioxidant and antibacterial assays were performed to evaluate the potential benefits of Citrus maxima peel oil in combating Escherichia coli (E.coli), Staphylococcus aureus (S.aureus), and Streptococcus agalactiae (S.alginate). In silico antibacterial docking was carried out with AutoDock (version 4.2) 1N67 for the bacterial receptor Clumping Factor A.

Results
The findings confirmed the presence of total phenolic and total flavonoid contents. Citrus maxima peel oil was also found to exhibit potential in-vitro antioxidant and antibacterial activity against Staphylococcus aureus, Streptococcus agalactiae, and Escherichia coli. The docking results indicate that alpha-pinene exhibited the strongest binding affinity (-8.33 kcal/mol) and the lowest inhibition constant (101.34 nM).

Conclusion
The findings highlight the pharmacological potential of Citrus maxima peel oil as a natural antioxidant and antimicrobial agent. Its promising bioactive properties make it a valuable source for pharmaceutical applications.