Chemical Constituents, In Vitro Antioxidant Activity and In Silico Study on NADPH Oxidase of Allium sativum L. (Garlic) Essential Oil
| Autor: | Oscar Herrera-Calderon, Luz Chacaltana-Ramos, Gaber El-Saber Batiha, Majed A. Algarni, Irma Carmen Huayanca-Gutiérrez, Mohammed Alqarni |
|---|---|
| Jazyk: | angličtina |
| Rok vydání: | 2021 |
| Předmět: |
Antioxidant
antioxidant enzyme Physiology DPPH medicine.medical_treatment Clinical Biochemistry Allyl compound RM1-950 Biochemistry allyl compounds Article law.invention chemistry.chemical_compound law medicine phytochemical study oxidative stress Food science Molecular Biology Essential oil NADPH oxidase biology Diallyl disulfide molecular dynamic food and beverages Cell Biology Allium sativum Diallyl trisulfide chemistry biology.protein Therapeutics. Pharmacology |
| Zdroj: | Antioxidants Volume 10 Issue 11 Antioxidants, Vol 10, Iss 1844, p 1844 (2021) |
| ISSN: | 2076-3921 |
| DOI: | 10.3390/antiox10111844 |
| Popis: | Allium sativum L., also known as garlic, is a perennial plant widely used as a spice and also considered a medicinal herb since antiquity. The aim of this study was to determine by gas chromatography–mass spectrometry (GC–MS) the chemical profile fingerprint of the essential oil (EO) of one accession of Peruvian A. sativum (garlic), to evaluate its antioxidant activity and an in- silico study on NADPH oxidase activity of the volatile phytoconstituents. The antioxidant activity was tested using DPPH and β-carotene assays. An in-silico study was carried out on NADPH oxidase (PDB ID: 2CDU), as was ADMET prediction. The results indicated that diallyl trisulfide (44.21%) is the major component of the EO, followed by diallyl disulfide (22.08%), allyl methyl trisulfide (9.72%), 2-vinyl-4H-1,3-dithiine (4.78%), and α-bisabolol (3.32%). Furthermore, the EO showed antioxidant activity against DPPH radical (IC50 = 124.60 ± 2.3 µg/mL) and β-carotene bleaching (IC50 = 328.51 ± 2.0). The best docking score on NADPH oxidase corresponds to α-bisabolol (ΔG = −10.62 kcal/mol), followed by 5-methyl-1,2,3,4-tetrathiane (ΔG = −9.33 kcal/mol). Additionally, the volatile components could be linked to the observed antioxidant activity, leading to potential inhibitors of NADPH oxidase. |
| Databáze: | OpenAIRE |
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