Study the Antipyretic Activity of Bioactive Compounds of Avena Sativa (Oats) Using Molecular Docking
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Type: Conference paper
Language: English
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ICCNRT04_002
Index date: 12 October 2021
Study the Antipyretic Activity of Bioactive Compounds of Avena Sativa (Oats) Using Molecular Docking abstract
Oats (Avena Sativa) have known and used commonly as foods. Besides, they offer numerous health benefits, such as reduced inflammation and improved brain function and mood. The purpose of this study is to investigate the antipyretic potential of four bioactive compounds of Avena Sativa. An in-silico molecular docking approach is carried out as a means of evaluating the probable effect. Since prostaglandin E2 (PGE2) is the key component in the fever mechanism, the isoforms of the cyclooxygenase enzyme (COX-1 and COX-2) which are reported to inhibit PGE2, are selected as receptors. Ascorbic acid, Caffeic acid, Quercetin, and Salicylate are docked to the target proteins, and the best binding modes are analyzed. Only Quercetin showed good binding affinity against the receptors, COX-1 and COX-2, with a docking score of -6.29 and -5.44, respectively
Study the Antipyretic Activity of Bioactive Compounds of Avena Sativa (Oats) Using Molecular Docking Keywords:
Study the Antipyretic Activity of Bioactive Compounds of Avena Sativa (Oats) Using Molecular Docking authors
Sepideh Habibzadeh
Department of Chemistry, Payame Noor University, Iran