Table 2B.
) In-silico Pharmacodynamics prediction of natural products selected for screening against COVID-19 condition.
| Identified NPs | Mutagenic | Tumorigenic | Reproductive effective | Ocular irritancy | Aerobic biodegradibility | Ames tooxicity score | Carcinogen |
|---|---|---|---|---|---|---|---|
| 12,28-Oxa-8-Hydroxy-Manzamine A | NONE | NONE | NONE | 0.946- | 1.00- | 0.707- | 0.607- |
| Alstolobine A | NONE | HIGH | NONE | 0.979- | 1.00- | 0.714- | 0.573- |
| Beauvericin | NONE | NONE | NONE | 0.925- | 0.912- | 0.772- | 0.622- |
| Beauvericin H1 | NONE | NONE | NONE | 0.922- | 0.996- | 0.776- | 0.536- |
| Bionectin A | NONE | NONE | NONE | 0.972- | 0.986- | 0.733- | 0.609- |
| Bionectin B | NONE | NONE | NONE | 0.965- | 0.988- | 0.870- | 0.611- |
| Bis(Gorgiacerol)Amine | NONE | NONE | HIGH | 0.901- | 0.623- | 0.573- | 0.487- |
| Chaetocin | NONE | NONE | NONE | 0.918- | 0.994- | 0.645- | 0.623- |
| Chetracin B | NONE | NONE | NONE | 0.911- | 0.973- | 0.679- | 0.644- |
| Chetracin D | NONE | NONE | NONE | 0.904- | 0.996- | 0.678- | 0.627- |
| Clausarin | NONE | NONE | HIGH | 0.607+ | 0.993- | 0.506- | 0.472- |
| Cyathusal B | NONE | NONE | HIGH | 0.561- | 0.937- | 0.707+ | 0.465- |
| Cyathuscavin B | NONE | NONE | HIGH | 0.590- | 0.966- | 0.712+ | 0.515+ |
| Cyathuscavin C | NONE | NONE | HIGH | 0.574- | 0.937- | 0.707+ | 0.465- |
| Difloxacin | NONE | NONE | NONE | 0.949- | 1.00- | 0.885+ | 0.610- |
| Discorhabdin H | NONE | NONE | NONE | 0.960- | 1.00- | 0.593- | 0.532- |
| Dragonamide A | NONE | NONE | NONE | 0.922- | 1.00- | 0.812- | 0.678- |
| Hexahydrodipyrrolo trione derivative | NONE | NONE | NONE | 0.927- | 1.00- | 0.658- | 0.597- |
| Holstiine | NONE | NONE | NONE | 0.986- | 0.951- | 0.572- | 0.501- |
| Hydroxy-6-Methylpyran-2-One Derivative | NONE | NONE | NONE | 0.732- | 0.500+ | 0.815- | 0.723- |
| Lamellarin D | NONE | NONE | HIGH | 0.833- | 0.993- | 0.586- | 0.389- |
| Lamellarin Gamma Acetate | NONE | NONE | HIGH | 0.989- | 0.995- | 0.880- | 0.599- |
| Luteoalbusin A | NONE | NONE | NONE | 0.986- | 0.987- | 0.670- | 0.630- |
| Marineosin A | NONE | NONE | NONE | 0.972- | 1.00- | 0.655- | 0.651- |
| Methaniminium derivative | NONE | NONE | NONE | 0.905- | 0.962- | 0.615- | 0.570- |
| Methylstemofoline | NONE | NONE | NONE | 0.891- | 1.00- | 0.755- | 0.470- |
| Mollenine A | NONE | NONE | NONE | 0.986- | 0.997- | 0.572- | 0.528- |
| Munroniamide | LOW | HIGH | LOW | 0.978- | 1.00- | 0.512- | 0.562- |
| Oidioperazine A | NONE | NONE | NONE | 0.987- | 0.997- | 0.670- | 0.606- |
| Oxyprotostemonine | NONE | NONE | NONE | 0.943- | 0.994- | 0.681- | 0.440- |
| Phellibaumin A | HIGH | NONE | HIGH | 0.528- | 0.911- | 0.550+ | 0.419- |
| Pulvinatal | NONE | NONE | HIGH | 0.547- | 0.966- | 0.712+ | 0.515+ |
| Stemocurtisine | NONE | NONE | NONE | 0.914- | 0.995- | 0.781- | 0.420- |
| Symplocamide A | NONE | NONE | NONE | 0.901- | 0.945- | 0.644- | 0.594- |
| Verticillin E | NONE | NONE | HIGH | 0.900- | 0.986- | 0.763- | 0.610- |