1. Synthesis of new chromeno-carbamodithioate derivatives and preliminary evaluation of their antioxidant activity and molecular docking studies.
- Author
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Bandari SK, Kammari BR, Madda J, Kommu N, Lakkadi A, Vuppala S, and Tigulla P
- Subjects
- Antioxidants chemical synthesis, Antioxidants chemistry, Antioxidants pharmacology, Binding Sites, Inhibitory Concentration 50, Molecular Structure, Prostaglandin-Endoperoxide Synthases chemistry, Thiocarbamates chemistry, Benzopyrans chemical synthesis, Benzopyrans pharmacology, Molecular Docking Simulation, Thiocarbamates chemical synthesis, Thiocarbamates pharmacology
- Abstract
New chromeno carbamodithioates (7a-i), have been synthesized from 2, 3-dimethyl-7-(oxiran-2-ylmethoxy)-4H-chromen-4-one (5), carbondisulphide and commercially available acyclic and cyclic secondary amines in acetonitrile with good to excellent yields. The free radical scavenging activity of novel chromone-carbamodithioate analogues was quantitatively estimated by spectrophotometric method. Whereas, molecular docking studies were performed with the active site of cyclooxygenase-2 to identify hydrogen bonding, hydrophobic and ionic interactions between protein and ligands. The compounds 7g and 7h demonstrated potent antioxidant activity with IC
50 of 1.405±0.019mM and 1.382±0.35mM respectively compared to Ascorbic acid., (Copyright © 2017 Elsevier Ltd. All rights reserved.)- Published
- 2017
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