Mechanistic Insights of Polyphenolic Compounds from Rosemary Bound to Their Protein Targets Obtained by Molecular Dynamics Simulations and Free-Energy Calculations

Rosemary represents an important medicinal plant that has been attributed with various health-promoting properties, especially antioxidative, anti-inflammatory, and anticarcinogenic activities. Carnosic acid, carnosol, and rosmanol, as well as the phenolic acid ester rosmarinic acid, are the main co...

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Bibliographic Details
Main Authors: Samo Lešnik, Marko Jukič, Urban Bren
Format: Article
Language:English
Published: MDPI AG 2023-01-01
Series:Foods
Subjects:
Online Access:https://www.mdpi.com/2304-8158/12/2/408