Impact of Olive Oil Constituents on C-reactive Protein : In silico Evidence

Hidayat Ur, Rahman and Muhammad Hamdi, Mahmood and Najm Us, Sama and Muhammad, Afzal and Mohd Razip, Asaruddin and Mohammed Safwan, Ali Khan (2022) Impact of Olive Oil Constituents on C-reactive Protein : In silico Evidence. Journal of Oleo Science, 71 (8). pp. 1199-1206. ISSN 1347-3352

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Pain is a sensation a humans sense as a protective mechanism against physical injury. This sensation is closely related to inflammation. It ranges from mild to highly obnoxious. It is well-known that the levels of the inflammatory biomarker, C-reactive protein (CRP), increase manifold in acute inflammation and pain. Olive oil, known to have many phytochemicals, has been traditionally used to alleviate pain. Amongst major phenolic compounds in olive oil are oleuropein (OLE), hydroxytyrosol (HT), tyrosol, and oleocanthal. Whether the analgesic and anti-inflammatory properties in olive oil are due to any specific interections is not known. Therefore, this study aimed to elucidate the possible anti-inflammatory and anti-nociceptive properties in those major phenolic compounds by using molecular docking software MOE 2015, comparing the energy value and binding site of phenolic compounds to that of well-known synthetic non-steroidal anti-inflammatory drugs (NSAIDs) and phosphocholine. The docking experiment showed that all compounds could directly interact with CRP. Oleuropein had the most potent interaction with CRP (–7.7580), followed by indomethacin (–6.0775), oleocanthal (–5.5734), ibuprofen (–5.3857), phosphocholine (–4.3876), HT (–4.2782), and tyrosol (–4.2329). Interestingly, the present study found other phytochemicals in olive oil that can be exploited as potential, safe, and cost-effective lead compound(s) for analgesic and anti-inflammatory activity, as supported by its molecular docking data.

Item Type: Article
Uncontrolled Keywords: C-reactive protein, molecular docking, olive oil, oleuropein, hydroxytyrosol, tyrosol, oleocanthal.
Subjects: R Medicine > RM Therapeutics. Pharmacology
R Medicine > RS Pharmacy and materia medica
Divisions: Academic Faculties, Institutes and Centres > Faculty of Medicine and Health Sciences
Faculties, Institutes, Centres > Faculty of Medicine and Health Sciences
Depositing User: Gani
Date Deposited: 14 Sep 2022 02:46
Last Modified: 14 Sep 2022 02:46

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