Promising natural compounds for hypoglycemic therapy: in silico identification of GKRP inhibitors from Coffea arabica via DFT, molecular docking, and aqueous-phase molecular dynamics simulations
Fields of Study & Subjects
Computational Drug Discovery Methods
Natural Antidiabetic Agents Studies
Bioactive natural compounds
Publication details
- Journal / source
- Journal of Molecular Liquids
- Volume
- 446
- Pages
- 129256–129256
- Publication date
- 15 January 2026
- Language
- EN