# Comprehensive Characterization of Lantana camara Essential Oil from Angola: GC-MS Profiling, Antioxidant Capacity, and Drug-likeness Prediction

## TL;DR

This study analyzed the essential oil from Lantana camara in Angola, finding it has strong antioxidant and anti-inflammatory properties, but also notable cytotoxic effects.

## Contribution

The study provides a comprehensive chemical and bioactivity profile of Lantana camara essential oil from Angola, including in silico drug-likeness predictions.

## Key findings

- The essential oil contains 96 volatile compounds, dominated by sesquiterpenes and monoterpenes like β-caryophyllene and sabinene.
- The oil showed strong antioxidant activity in DPPH and lipid peroxidation assays but minimal effect on superoxide anion radicals.
- In silico ADMET predictions suggest drug-like properties for major compounds, but the oil exhibited moderate to high cytotoxicity in some assays.

## Abstract

Lantana camara L. (Verbenaceae) is a medicinal plant widely used in traditional medicine in Angola, especially for its anti-inflammatory effects. This study evaluated the chemical composition of L. camara essential oil from leaves (Lc-EO) collected in Uíge Province, Angola. GC–MS analysis enabled the identification of 96 volatile compounds, with sesquiterpenes and monoterpenes as the predominant constituents. Among them, β-caryophyllene (14.49%), sabinene (9.13%), bicyclogermacrene (8.18%), α-humulene (5.66%), nerolidol (5.29%), and 1,8-cineole (5.14%) were identified as major components. The antioxidant activity of Lc-EO was assessed using DPPH, ABTS, and superoxide anion (O2•−) assays. Lc-EO showed strong activity in the DPPH assay (IC50 = 0.72 µg/mL), moderate activity in the ABTS assay (IC50 = 87.5 µg/mL), but minimal effect on O2•− radicals (IC50 = 1491 µg/mL). It also significantly inhibited lipid peroxidation (IC50 = 236.2 µg/mL). The anti-inflammatory activity of Lc-EO was assessed through its ability to inhibit protein denaturation, exhibiting a moderate effect with 28% inhibition. In silico ADMET predictions suggested drug-like properties and low predicted systemic toxicity for major compounds. The Artemia salina lethality assay indicated moderate general toxicity (IC50 = 154.1 µg/mL), whereas the MTT viability assay revealed higher cytotoxic potency of Lc-EO (IC50 = 31.58 µg/mL), highlighting model-dependent differences in sensitivity. Overall, L. camara essential oil shows relevant bioactivity consistent with its traditional use, particularly antioxidant and anti-inflammatory effects, while its cytotoxicity highlights the need for safety evaluation. These findings indicate that the assayed oil is a promising source of bioactive compounds, but further studies are required to support its development as a safe pharmaceutical raw material.