Article
Computational-based investigation of antioxidative potential polyphenolic compounds of Salvia officinalis L.: combined DFT and molecular docking approaches
Ridha Bendaas, Yahia Bekkar, L. Messaadia✉, Lotfi Bourougaa, Abdelatif Messaoudi, S. Kiamouche, M. Benamira
Détails
| Langue originale | English |
|---|---|
| Revue | Journal of Molecular Modeling |
| Volume | 30 |
| Numéro | 3 |
| Pages | 87 |
| Éditeur | Springer Science+Business Media |
| ISSN | 0948-5023 · 1610-2940 |
| DOI | 10.1007/s00894-024-05866-8 |
| Statut de publication | Publié — 28 février 2024 |
Mots-clés
- Salvia officinalis
- polyphenols
- carnosol
- cirsiliol
- luteolin
- antioxidant activity
- hydrogen abstraction mechanism
- single electron transfer mechanism
- reactivity descriptors
- QSAR
- glutathione S-transferase inhibition
- molecular docking
- catechol groups
- bioavailability
- membrane permeability
- solvent effects
- ascorbic acid comparison
Empreinte
- Free Radicals and Antioxidants
- Phytochemicals and Antioxidant Activities
- Advanced Chemical Physics Studies
- Salvia officinalis
- polyphenols
- carnosol
- cirsiliol
- luteolin
- antioxidant activity
- hydrogen abstraction mechanism
- single electron transfer mechanism
- Organic Chemistry
- Biochemistry
- Atomic and Molecular Physics, and Optics
- Chemistry
- Medicine
- Physics and Astronomy