<![CDATA[Introduction: Endometriosis is a gynecological disease characterized by pelvic pain and high inflammation in women. Phaleria macrocarpa fruit contains six flavonoids involved Eriodictyol, Glycitin, 5-O-methylgenistein, Catechin 7-O-beta-D-xyloside, 8-Prenylnaringenin, and Naringenin. In vivo experiment performed that flavonoid from Phaleria macrocarpa fruit potential as therapeutic agents for endometriosis. However, the mechanism of flavonoids from Phaleria macrocarpa was limited information. This study performed the endometriosis therapeutic mechanism of flavonoids from Phaleria macrocarpa through molecular docking. Methods In silico experiment was carried out of this study, canonical SMILES of six identified flavonoids from Phaleria macrocarpa were predicted the anti-inflammatory, antineoplastic, and antioxidant properties. Then, the highest biological properties was redocked with AKT, COX-2, AHR, and ESR by using Molegro Virtual Docker version 5.0. Result: According to the bioactivity prediction, six flavonoids of Phaleria macrocarpa performed antiinflammatory property ranged 0.599 – 0.751, low anti-inflammatory intestinal NSAID agent, and antineoplastic (uterine, cervical, and ovarian cancers). 5-O-methylgenistein showed highest breast cancer – resistant protein inhibitor. Molecular docking performed interaction of 5-O-methylgenistein and inhibited COX-2, AHR, ESR, and AKT. 5-O-methylgenistein induced apoptosis by caspase – 3 interactions. A proposed mechanism of 5-O-methylgenistein in endometriosis was reducing pain, inducing apoptosis, preventing cancer cell initiation, inhibiting proliferation and oncogenic cell. Conclusion: 5-O-Methylgenistein performed a promising plant constituent for endometriosis therapy.]]>
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