| Properties | Information | |
|---|---|---|
| PhytoCAT-ID | PhytoCAT-2061 | |
| Phytochemical name or plant extracts | 4-coumaric acid methyl ester | |
| PMID | 34590457 | |
| Literature evidence | Alternatively, phytochemicals are natural reserves of novel drugs for cancer therapy. | |
| IUPAC name | methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate | |
| Phytochemicals’ class or type of plant extracts | Phenolic ester | |
| Source of phytochemicals or plant Extracts | Punica granatum | |
| Geographical availability | Afghanistan, Iran, Iraq, North Caucasus, Pakistan, Tadzhikistan, Transcaucasus, Turkey, Turkmenistan | |
| Plant parts | Leaves | |
| Other cancers | Breast cancer | |
| Target gene or protein | ERα, ERβ, ERγ | |
| Gene or Protein evidence | 4-coumaric acid methyl ester was identified as the best inhibitor of ER isoforms with drug-likeness and no toxicity from ADMET screening. γ-ligand binding domain complex showed the best interactions with minimum RMSD, constant Rg, and the maximum number of hydrogen bonds. | |
| Target pathways | NA | |
| IC50 | NA | |
| Potency | We conclude that 4-coumaric acid methyl ester exhibits favourable drug-like properties comparable to tamoxifen, an FDA-approved breast cancer drug and can be tested further in preclinical studies. | |
| Cell line/ mice model | In-silico | |
| Additional information | 4-coumaric acid methyl ester was identified as the best inhibitor of ER isoforms with drug-likeness and no toxicity from ADMET screening. | |
| PubChem ID | 5319562 | |
| Additional PMIDs | NA | |
| Additional sources of information | https://powo.science.kew.org/taxon/urn:lsid:ipni.org:names:554129-1 | |
| Safety | NA |