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All Journal Biota: Jurnal Ilmiah Ilmu-Ilmu Hayati Indonesian Journal of Cancer Chemoprevention Dental Journal (Majalah Kedokteran Gigi) Indonesian Journal of Pure and Applied Chemistry Jurnal Insan Farmasi Indonesia Indonesian Journal of Biological Pharmacy Journal of Pharmaceuticals and Natural Sciences Indonesian Journal of Chemical Science Jurnal Farmasi Sains dan Terapan (Journal of Pharmacy Science and Practice)
Novitasari, Dhania
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Agriculture, Biological Sciences & Forestry Biochemistry, Genetics & Molecular Biology Chemistry Dentistry Health Professions Immunology & microbiology Medicine & Pharmacology Physics

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The Bioactive Constituents of Piper aduncum L. as Estrogen Receptor-α Inhibitors: in silico studies Shafa, Nafis; Lathifah, Salma Sri; Alifa, Zahra; Syahid, Muhammad; Ismail, Dzava Prawinsyah Fairus; Mahardika, Bintang Satrio; Novitasari, Dhania
Indonesian Journal of Biological Pharmacy Vol 5, No 3 (2025): IJBP (Desember)
Publisher : Department of Biological Pharmacy, Faculty of Pharmacy, Universitas Padjadjaran

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24198/ijbp.v5i3.69270

Abstract

Wild betel (Piper aduncum L.) is a traditional medicinal plant with reported anticancer potential, particularly against breast cancer. Breast cancer remains a leading cause of cancer-related mortality worldwide, largely driven by estrogen receptor alpha (ERα)–mediated tumor growth. This study aimed to evaluate the potential of bioactive compounds from P. aduncum as ERα inhibitors using an in silico approach. Twenty compounds identified from P. aduncum were assessed for drug-likeness and ADMETox properties, followed by pharmacophore modeling and molecular docking against ERα. Phlorizin, linalool, and phloretin exhibited the highest pharmacophore fit scores, with the optimal model demonstrating strong predictive performance (AUC = 0.95). Among these compounds, phlorizin showed the strongest binding affinity for ERα (−10.38 kcal/mol), with a predicted inhibition constant of 24.77 µM, forming key interactions with GLU353, ALA350, and LEU525, comparable to those of the reference ligand 4-hydroxytamoxifen. Overall, these findings indicate that P. aduncum–derived compounds, particularly phlorizin, phloretin, and linalool, are promising ERα inhibitor candidates and merit further experimental validation for breast cancer therapy.
Co-Authors Alifa, Zahra Andhryanti, Rifa Nurfadila Ashriany, Raissa Rerey Aulia Rahman, Faaza Aulia, Martiza Azzahra, Iqlima Banun Kusumawardani Cahyaningrum, Lydia CINDY CINDY Dwi Merry Christmarini Robin Edy Meiyanto Fadhilah, Naya Fardhan, Firghi Muhammad Fathin, Nayla Maymuna Gabriel, Kevin Hess, Aurelina Yunita Ismail, Dzava Prawinsyah Fairus Jasimah, Jasimah Kato, Jun-Ya Kinanti, Lintang Gusti Lathifah, Salma Sri Lestari, Mila Ayu Maharani, Anisa Mahardika, Bintang Satrio Mahira, Tsania Moulana, Mohammad Zaeni Muhammad Syahid Muljono, Fajar Oktavian Nunuk Purwanti Nurhaliza, Muthiah Oktaviana, Lina Pramudita, Fransisca Widi Putri, Anindya Calista Nabila Putri, Nazwa Septiriana Putri, Viona Algesia Fiola Putri, Yolla Adellia Qurrotaayun, Ghina Alya Putri Rahmaharva, Naila Dwi Ramadhani, Siti Zhahira Retno Ardhani Riris Istighfari Jenie Romadhona, Tarisa Nurafni Rosani, Fahrana Rubianti, Retno Rusdin, Agus Salsabila, Sitti Kesya Shafa, Nafis Sitompul, Joy Elizabeth Nauli Zhafirah, Noor