TABLE 2.
Pharmacodynamic profile of top three hit phytochemicals from each of the three selected plants (Mentha arvensis, Coriandrum sativum, and Ocimum tenuiflorum).
| Properties | Eudesmol | Linarin | (−)−Gamma-cadinene | (+)-Germacrene A | Alpha-thujene | Geranyl acetate | Baicalin | Kaempferol-3-O-glucuronide | Kaempferide | |
|---|---|---|---|---|---|---|---|---|---|---|
| Absorption | Blood–brain barrier | BBB+ | BBB− | BBB+ | BBB+ | BBB+ | BBB+ | BBB− | BBB− | BBB− |
| Human intestinal absorption | HIA+ | HIA+ | HIA+ | HIA+ | HIA+ | HIA+ | HIA+ | HIA+ | HIA+ | |
| Caco-2 permeability | Caco2+ | Caco2− | Caco2+ | Caco2+ | Caco2+ | Caco2+ | Caco2− | Caco2− | Caco2+ | |
| Renal organic transporter | Non-inhibitor | Non-inhibitor | Non-inhibitor | Non-inhibitor | Non-inhibitor | Non-inhibitor | Non-inhibitor | Non-inhibitor | Non-inhibitor | |
| Aqueous solubility (LogS) | −3.6183 | −2.5665 | −5.3703 | −4.9808 | −4.1737 | −3.6996 | −3.4620 | −3.4620 | −3.2219 | |
| Distribution | Subcellular localization | Lysosome | Mitochondria | Lysosome | Lysosome | Lysosome | Mitochondria | Mitochondria | Mitochondria | Mitochondria |
| Metabolism | CYP450 2C9 Substrate | Non-substrate | Non-substrate | Non-substrate | Non-substrate | Non-substrate | Non-substrate | Non-substrate | Non-substrate | Non-substrate |
| CYP450 1A2 inhibitor | Non-inhibitor | Non-inhibitor | Non-inhibitor | Non-inhibitor | Non-inhibitor | Non-inhibitor | Non-inhibitor | Non-inhibitor | Non-inhibitor | |
| CYP450 2D6 inhibitor | Non-inhibitor | Non-inhibitor | Non-inhibitor | Non-inhibitor | Non-inhibitor | Non-inhibitor | Non-inhibitor | Non-inhibitor | Non-inhibitor | |
| Toxicity | Human ether-a-go-go-related Gene inhibition | Weak inhibitor | Weak inhibitor | Weak inhibitor | Weak inhibitor | Weak inhibitor | Weak inhibitor | Weak inhibitor | Weak inhibitor | Weak inhibitor |
| AMES toxicity | Non AMES toxic | Non-AMES toxic | Non-AMES toxic | Non-AMES toxic | Non-AMES toxic | Non-AMES toxic | Non-AMES toxic | Non-AMES toxic | Non-AMES toxic | |
| Carcinogens | Noncarcinogens | Noncarcinogens | Noncarcinogens | Noncarcinogens | Noncarcinogens | Carcinogens | Noncarcinogens | Noncarcinogens | Non-carcinogens | |
| Acute oral toxicity | III | III | III | III | III | III | II | II | III | |
| Rat acute toxicity | 1.8911 | 2.6036 | 1.8911 | 1.5595 | 1.5330 | 1.5219 | 2.7357 | 2.7357 | 2.7192 | |
| Fish toxicity | −0.3218 | 0.9183 | −0.3218 | −0.7436 | −0.3500 | 0.2099 | 0.5766 | 0.5766 | 0.6628 |