Phytochemical profiling, bioactivity and in silico studies of Capparis decidua Edgew (Forssk.) root bark extracts
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Published on: March 31, 2021
Mazen M M Taha1, Nazik M E Mustafa2, Abdalkarim M M Salih2
1Department of Pharmacology, Faculty of Pharmacy, Al Neelain University, El gamhuriya avenue, Khartoum, Sudan. mazmax4225@gmail.com.
Background:
Capparis decidua (Forssk.) Edgew., a perennial shrub prevalent in arid Africa and Asia, holds prominent status in Sudanese traditional medicine for inflammation, infections, and scorpion stings. Despite extensive ethnomedicinal use, particularly of root bark, comprehensive scientific validation remains limited. This study evaluated C. decidua root bark extracts for anti-inflammatory and antimicrobial activities through integrated in vitro, GC-MS, and in silico approaches.
Methods:
Root bark underwent 85% methanolic (MeOH) extraction followed by fractionation with petroleum ether (Pet.ether), ethyl acetate (EtOAc), and n-butanol (n- BuOH). The Extracts were assessed as anti-inflammatory and antimicrobial via protein denaturation assay and via well-diffusion assays, respectively. The phytoconstituents were investigated via GC-MS analysis (non-derivatized, NIST ≥ 85% match), and the molecular docking was done against pathogen protein targets.
Results:
The GC-MS analysis revealed to identification of 23 metabolites (98.58% total peak area, peaks 3-25; peaks 1-2 excluded as siloxane artifacts), with 9-octadecenoic acid (Z)-2-hydroxy-1-(hydroxymethyl)ethyl ester (18.13%), 1-H-purin-6-amine[(2-fluorophenyl)methyl] (13.73%), oleic acid 3-(octadecyloxy)propyl ester (13.21%), and 9-octadecenoic acid (Z) (11.03%) predominant. The 85% methanolic extract displayed superior antimicrobial activity against all tested pathogens (Staphylococcus aureus 29 ± 2 mm; B. subtilis 25 ± 2 mm; K. pneumoniae 24 ± 1 mm; S. typhi 22 ± 1 mm; C. albicans 24 ± 2 mm; A. niger 19 ± 1 mm; n = 3), outperforming gentamicin and fluconazole controls against key strains. nBuOH/EtOAc fractions showed strong activity (21-29 mm). Anti-inflammatory IC₅₀: MeOH 163.72 µg/mL, n-BuOH 178.22 µg/mL, EtOAc 234.59 µg/mL vs. diclofenac 121.55 µg/mL. Docking: 1-H-purin-6-amine [(2-fluorophenyl) methyl] (-9.5 to -10.0 kcal/mol).
Conclusion:
Capparis decidua root bark demonstrates significant anti-inflammatory and broad-spectrum antimicrobial potential, validating Sudanese traditional use. In vivo studies, compound isolation, mechanistic assays, and toxicity profiling are warranted.
