Samo Lešnik (Author), Marko Jukič (Author), Urban Bren (Author)

Abstract

Mechanistic insights of polyphenolic compounds from rosemary bound to their protein targets obtained by molecular dynamics simulations and free-energy calculations

Keywords

rožmarin;linearna interakcija energije;proteaza;polifenoli;rosemary;carnosic acid;carnosol;rosmanol;rosmarinic acid;polyphenols;molecular docking;molecular dynamics simulations;linear interaction energy calculations;water-mediated hydrogen-bonds;; HIV-1 protease;K-RAS protein;factor X;

Data

Language: English
Year of publishing:
Typology: 1.01 - Original Scientific Article
Organization: UM FKKT - Faculty of Chemistry and Chemical Engineering
Publisher: MDPI
UDC: 577
COBISS: 137937411 Link will open in a new window
ISSN: 2304-8158
Views: 185
Downloads: 15
Average score: 0 (0 votes)
Metadata: JSON JSON-RDF JSON-LD TURTLE N-TRIPLES XML RDFA MICRODATA DC-XML DC-RDF RDF

Other data

Secondary language: Slovenian
Secondary keywords: rožmarin;linearna interakcija energije;proteaza;polifenoli;
Type (COBISS): Scientific work
Pages: 20 str.
Volume: ǂVol. ǂ12
Issue: ǂiss. ǂ2
Chronology: 2023
DOI: 10.3390/foods12020408
ID: 23492599