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AuthorBouammali, Haytham
AuthorZraibi, Linda
AuthorZiani, Imane
AuthorMerzouki, Mohammed
AuthorBourassi, Lamiae
AuthorFraj, Elmehdi
AuthorChallioui, Allal
AuthorAzzaoui, Khalil
AuthorSabbahi, Rachid
AuthorHammouti, Belkheir
AuthorJodeh, Shehdeh
AuthorHassiba, Maryam
AuthorTouzani, Rachid
Available date2024-02-25T08:13:04Z
Publication Date2023-12-27
Publication NamePlants
Identifierhttp://dx.doi.org/10.3390/plants13010089
CitationBouammali, H., Zraibi, L., Ziani, I., Merzouki, M., Bourassi, L., Fraj, E., ... & Touzani, R. (2023). Rosemary as a Potential Source of Natural Antioxidants and Anticancer Agents: A Molecular Docking Study. Plants, 13(1), 89.
URIhttps://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85181928156&origin=inward
URIhttp://hdl.handle.net/10576/52175
AbstractRosmarinus officinalis L. compounds, especially its main polyphenolic compounds, carnosic acid (CA) and rosmarinic acid (RA), influence various facets of cancer biology, making them valuable assets in the ongoing fight against cancer. These two secondary metabolites exhibit formidable antioxidant properties that are a pivotal contributor against the development of cancer. Their antitumor effect has been related to diverse mechanisms. In the case of CA, it has the capacity to induce cell death of cancer cells through the rise in ROS levels within the cells, the inhibition of protein kinase AKT, the activation of autophagy-related genes (ATG) and the disrupt mitochondrial membrane potential. Regarding RA, its antitumor actions encompass apoptosis induction through caspase activation, the inhibition of cell proliferation by interrupting cell cycle progression and epigenetic regulation, antioxidative stress-induced DNA damage, and interference with angiogenesis to curtail tumor growth. To understand the molecular interaction between rosemary compounds (CA and RA) and a protein that is involved in cancer and inflammation, S100A8, we have performed a series of molecular docking analyses using the available three-dimensional structures (PDBID: 1IRJ, 1MR8, and 4GGF). The ligands showed different binding intensities in the active sites with the protein target molecules, except for CA with the 1MR8 protein.
Languageen
PublisherMultidisciplinary Digital Publishing Institute (MDPI)
Subjectcarnosic acid
cell signaling
molecular docking
oxidative stress
proliferation
rosmarinic acid
Rosmarinus officinalisL
survival
tumor
TitleRosemary as a Potential Source of Natural Antioxidants and Anticancer Agents: A Molecular Docking Study
TypeArticle
Issue Number1
Volume Number13
ESSN2223-7747
dc.accessType Open Access


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