Repositioning Candidate Details
| Candidate ID: | R1353 |
| Source ID: | DB11218 |
| Source Type: | experimental; nutraceutical |
| Compound Type: | biotech |
| Compound Name: | Tea tree oil |
| Synonyms: | Australian tea tree oil; Melaleuca alternifolia (tea tree) leaf oil; Melaleuca alternifolia (tea tree) leaf water; Melaleuca alternifolia leaf oil; Melaleuca alternifolia oil; Melaleuca oil; Narrow-leaved tea-tree leaf oil; Narrow-leaved ti-tree leaf oil; Narrowleaf paperbark leaf oil; Snow-in-summer leaf oil; Tea tree oil; Tea tree oil australia; Tea tree volatile oil; Ti tree oil |
| Molecular Formula: | -- |
| SMILES: | -- |
| DrugBank Description: | Tea tree oil is an essential oil derived mainly from the Australian native plant _Melaleuca alternifolia_ via steam distillation of the of the leaves and terminal branches . It may be referred to as _Melaleuca alternifolia_ oil. It has been a popular ingredient in a variety of household and cosmetic products due to its antiseptic, anti-inflammatory, broad-spectrum antimicrobial and antioxidant properties . The dermatological use of tea tree oil has been investigated by various studies, where several studies have suggested the uses of this oil for the treatment of acne vulgaris, seborrheic dermatitis, and chronic gingivitis . Terpene hydrocarbons and related alcohols constitute tea tree oil, with being the major antimicrobial component . |
| CAS Number: | 68647-73-4 |
| Molecular Weight: | |
| DrugBank Indication: | Indicated for topical use to help protect against infection in minor cuts, scrapes, and burns. No FDA-approved therapeutic indications. |
| DrugBank Pharmacology: | Tea tree oil exhibits antibacterial, antifungal, antiviral, and antiprotozoal activities . It mostly mediates bactericidal actions at concentrations of 1.0% or less in most bacteria such as _Staphylococcus aureus_ and _Escherichia coli_, and causes bacteriostatic effects at lower concentrations . Organisms such as commensal skin staphylococci and micrococci, _Enterococcus faecalis_, and Pseudomonas aeruginosa_emphasized text_ were susceptible to tea tree oil concentrations of 2% . It is proposed that water-soluble components of tea tree oil are capable in inducing anti-inflammatory actions; terpinen-4-ol attenuates the vasodilation and plasma extravasation associated with histamine-induced inflammation in humans . |
| DrugBank MoA: | The components of tea tree oil, particularly terpinen-4-ol and α-terpineol, mediate antimicrobial actions by disrupting the structural and functional integrity of bacterial membrane. Hydrocarbons are capable of partitioning into the cell and cytoplasmic membrane of microorganisms and disrupt their vital functions, which may result in leakage of ions such as potassium, and the inhibition of respiration . Eventually, cell lysis may occur due to weakening of the cell wall, and loss of turgor pressure and subsequent rupture of the cytoplasmic membrane . The loss of 260-nm-absorbing material may be indicative of a damaged cytoplasmic membrane and loss of nucleic acids . In _E. coli_, perturbed potassium homeostasis, glucose-dependent respiration, cell morphology, and ability to exclude propidium iodide was observed. Tea tree oil also mediates its antifungal actions in a similar way, where it alters the permeability of Candida albicans and inhibits its respiration in a dose-dependent manner . Plasma and mitochondrial membranes of fungal species are also thought to be negatively affected by inhibition of glucose-induced medium acidification by tea tree oil, which involves inhibition of membrane ATPase responsible for the expulsion of protons . Tea tree oil also inhibits the formation of germ tubes, or mycelial conversion, in _C. albicans_, thereby disrupting cell morphogenesis . Water-soluble fraction of TTO, terpinen-4-ol, and α-terpineol, can inhibit the lipopolysaccharide-induced production of the inflammatory mediators such as TNF-α, IL-1β and IL-10 by human peripheral monocytes by approximately 50% and that of prostaglandin E2 by about 30% after 40 h . These components of tea tree oil may also suppress superoxide production by agonist-stimulated monocytes and decrease the production of reactive oxygen species by both stimulated neutrophils and monocytes . |
| Targets: | -- |
| Inclusion Criteria: | Therapeutic strategy associated |
| Strategy ID | Strategy | Synonyms | Related Targets | Related Drugs | |
|---|---|---|---|---|---|
| S05 | Anti-inflammatory | inflammatory | Bile acid; TNF-a inhibitor; Dual PPAR-α and -δ agonists; Toll-Like Receptor; (TLR)-4 antagonist; Caspase inhibitor; ASK-1 inhibitor | Ursodeoxycholic Acid; Pentoxifylline; Elafibranor; JKB-121; Emricasan; Selonsertib; | Details |
| Target ID | Target Name | GENE | Action | Class | UniProtKB ID | Entry Name | |
|---|---|---|---|---|---|---|---|
| T08 | Tumor necrosis factor | TNF | inhibitor | Cytokine | P01375 | TNFA_HUMAN | Details |
| T18 | Acetyl-CoA carboxylase 1 | ACACA | inhibitor | Enzyme | Q13085 | ACACA_HUMAN | Details |
| T07 | Bile acid receptor | NR1H4 | agonist | Nuclear hormone receptor | Q96RI1 | NR1H4_HUMAN | Details |
| Diseases ID | DO ID | Disease Name | Definition | Class |
|---|