# Chemical Profiling and Biological Activities of Ruta montana Volatile Oil: In Vitro and In Silico ADME/Tox Assessment

## TL;DR

This study identifies the chemical components and biological effects of Ruta montana essential oil, showing it has antimicrobial, antioxidant, and antidiabetic properties.

## Contribution

The study provides a comprehensive chemical and biological evaluation of Ruta montana essential oil, including in vitro and in silico assessments of its therapeutic potential.

## Key findings

- RMEO's main components are 2-undecanone, limonene, and 2-nonanone.
- RMEO shows strong inhibition of α-amylase and α-glucosidase enzymes, indicating antidiabetic potential.
- RMEO exhibits significant antimicrobial and antioxidant activity in vitro and is supported by molecular docking and ADME analysis.

## Abstract

Ruta montana L. is a perennial medicinal herb traditionally used in Moroccan healing practices for infectious diseases, hyperglycemia, spasms, and fever. This work intends to evaluate the bioactive constituents of Ruta montana essential oil (RMEO) using the GC–MS technique and demonstrate its antimicrobial, antioxidant, and antidiabetic properties via in vitro and molecular docking studies. The primary constituents of RMEO are 2-undecanone (56.41%), limonene (10.28%), and 2-nonanone (8.92%). The α-amylase (IC50 = 455 ± 0.11 μg/mL) and α-glucosidase (IC50 = 401 ± 0.04 μg/mL) enzymes were significantly inhibited by RMEO. Additionally, ferric reducing power (EC50 = 1188.61 ± 1.12 μg/mL) and the β-carotene bleaching assay (IC50 = 206.21 ± 1.12 μg/mL) confirmed its strong antioxidant activity. The antimicrobial evaluation showed remarkable activity against Micrococcus luteus (IZ = 20.05 ± 0.98 mm), followed by Staphylococcus aureus (IZ = 18.11 ± 1.11 mm) and moderate anticandidal activity against Candida albicans (IZ = 13.05 ± 0.21 mm). Minimal inhibitory and bactericidal concentrations (MIC and MBC) ranged from 2.25 to 72 mg/mL, confirming both bactericidal and fungicidal effects. Besides, in vitro findings were supported by molecular docking and ADME analysis. The present investigation highlights the potent antibacterial, anticandidal, antioxidant, and antidiabetic abilities of RMEO, supporting its potential as a natural and safe therapeutic agent.