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Year : 2020  |  Volume : 10  |  Issue : 4  |  Page : 194-202

Protective Effects of Flavonols From Crataegus Oxycantha Against Inflammatory Markers of Atherosclerosis: A Structure Based, Molecular Docking And Dynamics Studies

1 Drug discovery and Molecular Cardiology Lab, Department of Bioinformatics, School of Life sciences, Bharathidasan University, Tiruchirappalli, Tamil Nadu, India
2 Molecular Gerontology Lab, Department of Biochemistry, School of Life sciences, Bharathidasan University, Tiruchirappalli, Tamil Nadu, India

Correspondence Address:
Swaminathan K Jayachandran
Assistant Professor, Drug Discovery and Molecular Cardiology Lab, Department of Bioinformatics, Bharathidasan University, Tiruchirappalli 620024, Tamil Nadu
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Source of Support: None, Conflict of Interest: None

DOI: 10.4103/ijnpnd.ijnpnd_73_20

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Coronary atherosclerosis is a life-threatening chronic disease that occurs in the arteries of the heart. The disease builds-up by various processes in a series that are hyperlipidemia, endothelial dysfunction, inflammation, LDL deposition and modification to OxLDL, macrophage infiltration all together known as plaque deposition, followed by foam cell formation, leading to plaque rupture and finally thrombosis which results in a complete blockage of blood flow. Among all the above, inflammation is the key event in the pathogenesis of atherosclerosis. TNF-α and IL-6, the known inflammatory markers are reported to be the key initiators and developers of plaque. Therefore this study aimed to find out the best blockers for these inflammatory markers by in-silico molecular docking and dynamic studies, using Maestro (Schrödinger). The blockers used in this study are the active secondary metabolites from Crataegus oxycantha, a well-known cardioprotective plant with numerous medicinal properties. The overall in-silico outcomes reported that a secondary metabolite Epicatechin gallate can be one of the best agents to minimize inflammation by inhibiting these inflammatory markers. Therefore these results should be further taken for experimental studies to prove the efficacy of Epicatechin gallate as a drug that can minimize inflammation and reduce Myocardial infarction complications.

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