GC-MS profiling and in silico pharmacokinetic properties of essential oils hydrodistilled from leaves of Capparis tomentosa and Cadaba rotundifolia

Abstract

In Ethiopian traditional medicine Capparis tomentosa treats tuberculosis, diarrhea, epilepsy, and malaria, while Cadaba rotundifolia for arthritis, tonsillitis and snake bites. Essential oils from the plant leaves were hydro-distilled using Clevenger apparatus and analyzed by GC-MS. SwissADME and ProTox-II assessed drug-likeness and ADMET of major compounds. Leaf extracts were tested against three bacterial strains using agar disc-diffusion method. GC-MS identified 25 compounds (89.7%) in C. tomentosa and 23 (95.47%) in C. rotundifolia. Major compounds (1-15) followed Lipinski's and Veber's rules, with compounds 2, 7, 9, and 12 in the Boiled-Egg's yellow region. Compounds 3, 4, 7, 11, and 12 had LD50 >5000 mg/kg, indicating lower toxicity than chloramphenicol (LD₅₀ = 1500 mg/kg). At 5 μg/mL, C. tomentosa oil showed stronger inhibition against E. coli (10±0.0 mm) and P. aeruginosa (9.0±0.25 mm), its methanol and n-hexane extracts against E. coli (9.85±0.14 mm) and P. aeruginosa (8.1±0.19 mm), respectively. C. rotundifolia oil was more effective against P. aeruginosa (8±0.5 mm) than chloramphenicol (6.9±0.51 mm), while its n-hexane and methanol extracts inhibited P. aeruginosa (8.1±0.17 mm) and E. coli (8.0±0.31 mm), respectively. These findings support traditional medicinal use of the studied plants, and highlight their potential as sources of bioactive compounds.

KEY WORDS: Capparis tomentosa, Cadaba rotundifolia, Essential oils, GC-MS, In silico pharmacokinetic

Bull. Chem. Soc. Ethiop. 2025, 39(2), 351-366.                                                             

DOI: https://dx.doi.org/10.4314/bcse.v39i2.13