Chemical Papers· 2026Q2
Antioxidant and protein anti-denaturation properties of an Algerian Opuntia ficus-indica aqueous extract: complementary in vitro and exploratory in silico analyses
- 0citations
- Q2SCImago
- 2026year
Short summary
An aqueous extract from Algerian Opuntia ficus-indica demonstrated moderate antioxidant capacity (DPPH IC50: 142.3 µg/mL) and inhibited BSA thermal denaturation by 50% at 412.6 µg/mL.
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Key points
- The Opuntia ficus-indica extract showed moderate antioxidant activity with DPPH IC50 of 142.3 µg/mL and ABTS IC50 of 78.6 µg/mL.
- The extract inhibited BSA thermal denaturation concentration-dependently, with an IC50 of 412.6 µg/mL.
- Catechin exhibited favorable docking scores (-8.1 kcal·mol⁻¹), and molecular dynamics simulations indicated conformational stability in protein complexes.
- ADMET calculations provided preliminary pharmacokinetic and toxicity predictions.
AI-generated from the title and abstract; the full text is not read.
Abstract
Abstract Opuntia ficus-indica (L.) Mill. is a source of hydrophilic phenolic constituents with potential redox and protein-stabilising properties. The present study evaluated the antioxidant and protein anti-denaturation activities of a previously characterised aqueous extract and explored the molecular behaviour of selected phenolic constituents. The extract exhibited moderate antioxidant activity, with IC₅₀ values of 142.3 ± 1.4 µg/mL for DPPH and 78.6 ± 0.8 µg/mL for ABTS, and A₀.₅ values of 73.9 ± 1.1 and 88.4 ± 1.3 µg/mL in the CUPRAC and ferricyanide assays, respectively. BSA thermal denaturation was inhibited in a concentration-dependent manner, with an IC₅₀ of 412.6 ± 4.3 µg/mL. Among the investigated phenolics, catechin showed the most favourable docking behaviour, with scores reaching − 8.1 kcal·mol⁻¹, while 300-ns molecular dynamics simulations indicated preservation of the overall conformational stability of selected catechin- and epicatechin-containing complexes. ADMET calculations provided complementary preliminary pharmacokinetic and toxicity predictions. Collectively, the results demonstrate moderate chemical antioxidant and protein anti-denaturation activities of the aqueous extract, while the computational findings provide testable molecular hypotheses requiring direct enzymatic and cellular validation.
The authors' abstract, as published at the source. Chemical Papers, 2026 · DOI ↗
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