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All Journal Biota: Jurnal Ilmiah Ilmu-Ilmu Hayati Indonesian Journal of Cancer Chemoprevention Indonesian Journal of Biotechnology Dental Journal (Majalah Kedokteran Gigi) The Indonesian Biomedical Journal Indonesian Journal of Pure and Applied Chemistry Pharmacoscript Jurnal Insan Farmasi Indonesia Indonesian Journal of Biological Pharmacy Medical Sains : Jurnal Ilmiah Kefarmasian Journal of Pharmaceuticals and Natural Sciences Medical Sains : Jurnal Ilmiah Kefarmasian Indonesian Journal of Chemical Science Jurnal Farmasi Sains dan Terapan (Journal of Pharmacy Science and Practice)
Dhania Novitasari
Departemen Analisis Farmasi Dan Kimia Medisinal, Fakultas Farmasi, Universitas Padjadjaran
Agriculture, Biological Sciences & Forestry Biochemistry, Genetics & Molecular Biology Chemistry Dentistry Health Professions Immunology & microbiology Materials Science & Nanotechnology Medicine & Pharmacology Physics Public Health

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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 Adam Hermawan Ade Safitri Aisyah Tasza Noor Alifa, Zahra Andhryanti, Rifa Nurfadila Andika Andika Anselma Ivanawati Ardhita Marshella Dhanu Ashriany, Raissa Rerey Aulia Rahman, Faaza Aulia, Martiza Azzahra, Iqlima Banun Kusumawardani Beni Lestari Cahyaningrum, Lydia CINDY CINDY Devyanto Hadi Triutomo Dwi Merry Christmarini Robin Ediati Sasmito Ediati Sasmito Edy Meiyanto Edy Meiyanto Edy Meiyanto Edy Meiyanto Fadhilah, Naya Fardhan, Firghi Muhammad Fathin Nayla Maymuna Fathin, Nayla Maymuna Fa’aizah Masayu Kyla Fitriana Hayyu Arifah Gabriel, Kevin Herwandhani Putri Hess, Aurelina Yunita Ismail, Dzava Prawinsyah Fairus Jasimah, Jasimah Jun-ya Kato Kato, Jun-Ya Kinanti, Lintang Gusti Laeli Muntafiah Lathifah, Salma Sri Layung Sekar Sih Wikanthi Lestari, Mila Ayu Maharani, Anisa Mahardika, Bintang Satrio Mahira, Tsania Masyithah Sitti Moordiani Moordiani Moulana, Mohammad Zaeni Muhammad Syahid Muljono, Fajar Oktavian Muthi Ikawati Nindi Wulandari Nunuk Purwanti Nur Fitra Sari Nurhaliza, Muthiah Oktaviana, Lina Pramudita, Fransisca Widi Prisnu Tirtanirmala Putri Salma Chiara Putri, Anindya Calista Nabila Putri, Nazwa Septiriana Putri, Viona Algesia Fiola Putri, Yolla Adellia Qurrotaayun, Ghina Alya Putri Rahmadhani Nabilah Rahmaharva, Naila Dwi Rahmawati Rahmawati Ramadhani, Siti Zhahira Ratna Asmah Susidarti Retno Ardhani Retno Murwanti Riris Istighfari Jenie Riris Istighfari Jenie Rizal Alya Izzati Zhafira Romadhona, Tarisa Nurafni Rosani, Fahrana Rubianti, Retno Rusdin, Agus Rusmina Aulia Hasanah Salsabila, Sitti Kesya Sari Fiona Puspita Sari Haryanti Shafa, Nafis Sitompul, Joy Elizabeth Nauli Sri Handayani Zahrotul Ulum Zhafirah, Noor