Research Article
6-Octadecenoic and Oleic Acid in Liquid Smoke Rice Husk Showed COVID-19 Inhibitor Properties
Table 1
The molecular binding and molecular interaction during MD simulation.
| | Compound | After docking | MD simulation | Distance of hydrogen bond interaction | Angles of hydrogen bond interaction |
| | Phenol | — | — | — | | | Mequinol | — | — | — | | | 2-Methoxy-phenol | Asn142 | — | — | | | 6-Octadecenoic acid | Ser144 | Ser144 | 2.9 Å | 160° | | 9-Octadecenoic acid | — | — | — | — | | Oleic acid | Thr24 | Thr24 | 2.9 Å | 155° | | Native ligand | Thr24, Thr26 | Thr24, Thr26 | 2.9 Å | 170° |
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