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All Journal Indonesian Journal of Cancer Chemoprevention Jurnal Kimia Riset Al-Kimia Chimica et Natura Acta Walisongo Journal of Chemistry Pharmacy Reports Sewagati Jurnal Tumbuhan Obat Indonesia al Kimiya : Jurnal Ilmu Kimia dan Terapan
Fadlan, Arif
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Journal : Al-Kimia

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Molecular Docking of Michelia alba Leaves Active Compounds Against Human Epidermal Growth Factor Receptor 2 (HER-2) Isman, Felysia; Pratama, Paundra; Fadlan, Arif
Al-Kimia Vol 10 No 2 (2022): DECEMBER
Publisher : Study Program of Chemistry - Alauddin State Islamic University of Makassar

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24252/al-kimia.v10i2.28437

Abstract

Breast cancer characterized by overexpression of the human epidermal growth factor receptor-2 (HER-2) and is a deadly disease worldwide. Chemotherapy with drugs targeting HER-2 is less effective and shows various drawbacks. This study aimed to study anticancer potential of active compounds contained in Michelia alba through molecular docking against HER-2. The molecular docking study was performed toward HER-2 receptor (PDB: 3PP0) containing 30Q native ligand with MCULE. The results showed that cis-linalool oxide, trans-linalool oxide, linalool, β-elemena, α-humulene, and nerolidol contained in M. alba leaves had lower docking scores than quercetin as control. Nerolidol showed the lowest docking score among all compounds. The active compounds in the leaves of M. alba have the potential as a HER-2 inhibitor in silico.
Co-Authors Agistya, Hamida Azza Agustin, Lela Fareza, Muhamad Salman Febrian, Dicky Rizky Gunawan, Triyanda Hamzah Fansuri Ilfahmi, Yan Alamanda Ingeswari, Aulya Vidiana Isman, Felysia Joko Setyono Josaphat, Frans Khozin, Muhamad Nur Khusnayaini, Intan Ali Kusumawati, Yuly Mardi Santoso Masitoh, Heni Niadisti, Bella Ratih Apsari Nugraheni, Zjahra Vianita Nur Amalia Choironi Nurhasan, Moch. Nurul - Widiastuti Nusantoro, Yesaya Reformyada Oktavina Kartika Putri Perry Burhan, Perry Pratama, Landaeta Yolga Pratama, Paundra Rahmawati, Zeni Roshuna, Jean Fitriani Sarmoko Sarmoko Seviani, Winda Wahyu Prasetyo Utomo Wirastuti, Vania Zetra, Yulfi