{"paper_id":"5311b544-9ff1-4ccf-8b59-16bd11cf7c92","body_text":"Indonesian Journal of Medical Chemistry and Bioinformatics\nAbstract\nAromatase inhibitors (AI) have controlling symptoms and size of endometriotic implants, making them a promising second-line therapy for endometriosis treatment.pretreatment with letrozole, an AI, combined with leuprolide acetate and resveratrol has been found to improve in vitro fertilization (IVF) outcomes in women mild endometriosis.in this study we screening and analysis of ten phenolic compounds from Foeniculum vulgare using molecular docking with Mcole server.from this results showed that three phenolic trans resveratrol (TR), caempherol coumaril (CC) have low gibbs energy compare with resveratrol (R). The binding modalities of compound TR and compound R were hydrogen-bonding between the hydroxyl and oxygen atom and Thr310 and hydrophobic interactions with Phe187, Ala272, Asp275, Ala189.and compound R exhibited cation-π interactions between Val336 as binding activity from aromatase.aromatase inhibitors and resveratrolfrom fennel lies in the potential of resveratrol to modulate hormonal pathways, including aromatase inhibition.\nBahasa Abstract\nAromatase inhibitors (AI) have controlling symptoms and size of endometriotic implants, making them a promising second-line therapy for endometriosis treatment.pretreatment with letrozole, an AI, combined with leuprolide acetate and resveratrol has been found to improve in vitro fertilization (IVF) outcomes in women mild endometriosis.in this study we screening and analysis of ten phenolic compounds from Foeniculum vulgare using molecular docking with Mcole server.from this results showed that three phenolic trans resveratrol (TR), caempherol coumaril (CC) have low gibbs energy compare with resveratrol (R). The binding modalities of compound TR and compound R were hydrogen-bonding between the hydroxyl and oxygen atom and Thr310 and hydrophobic interactions with Phe187, Ala272, Asp275, Ala189.and compound R exhibited cation-π interactions between Val336 as binding activity from aromatase.aromatase inhibitors and resveratrolfrom fennel lies in the potential of resveratrol to modulate hormonal pathways, including aromatase inhibition.\nReferences\n1. Chih-Feng, Yen., Mee, Ran, Kim., Chyi-Long, Lee. (2019). Epidemiologic Factors Associated with Endometriosis in East Asia.. Gynecology and Minimally Invasive Therapy, 8(1):4-11. doi: 10.4103/GMIT.GMIT_83_18\n2. Yi, Dai., Xiao-yan, Li., Jinghua, Shi., Jinhua, Leng. (2018). A review of the risk factors, genetics and treatment of endometriosis in Chinese women: a comparative update. Reproductive Health, 15(1):82-82. doi: 10.1186/S12978-018-0506-7\n3. .T, W. (2022). Mitochondria-Associated Molecular Mechanisms in Endometriosis - A Mini Review. 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Molecules, 2019, 24(24), E4506.\nhttp://dx.doi.org/10.3390/molecules24244506 PMID: 31835371\nRecommended Citation\nSuryandari, Dwi Anita; Sari, Puji; Sunaryo, Hadi; and Istiadi, Khaerunissa Anbar\n(2023)\n\"A Computational Exploration: Docking Analysis of Compounds from Foeniculum vulgare as Potential Aromatase Inhibitors for Endometriosis Candidate Therapy,\"\nIndonesian Journal of Medical Chemistry and Bioinformatics: Vol. 2:\nNo.\n2, Article 1.\nDOI: 10.7454/ijmcb.v2i2.1024\nAvailable at:\nhttps://scholarhub.ui.ac.id/ijmcb/vol2/iss2/1\nIncluded in\nAlternative and Complementary Medicine Commons, Bioinformatics Commons, Biomedical Engineering and Bioengineering Commons","source_license":"CC0","license_restricted":false}