Evaluation of extra virgin olive oil compounds using computational methods: in vitro, ADMET, DFT, molecular docking and human gene network analysis study

Evaluation of extra virgin olive oil compounds using computational methods: in vitro, ADMET, DFT, molecular docking and human gene network analysis study

Abstract This study investigates the phenolic compounds (PC), volatile compounds (VC), and fatty acids (FA) of extra virgin olive oil (EVOO) derived from the Turkish olive variety “Sarı Ulak”, along with ADMET, DFT, molecular docking, and gene network analyses of significant molecules identified wit...

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Bibliographic Details
Main Authors: Velid Unsal, Reşit Yıldız, Aziz Korkmaz, Başak Doğru Mert, Cemile Gunbegi Calıskan, Erkan Oner
Format: Article
Language:English
Published: BMC 2025-01-01
Series:BMC Chemistry
Subjects:
EVOO
Sarı Ulak
ADMET
DFT
Molecular docking
Gene network analysis
Online Access:https://doi.org/10.1186/s13065-024-01369-y
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