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All Journal JURNAL KIMIA SAINS DAN APLIKASI JURNAL ISTEK Akta Kimia Indonesia Jurnal Kartika Kimia Science Midwifery Jurnal Buana Farma Coreid Journal The Indonesian Journal of Computer Science al Kimiya : Jurnal Ilmu Kimia dan Terapan
Atthar Luqman Ivansyah
Jurusan Kimia, FMIPA Institut Teknologi Bandung
Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Computer Science & IT Dentistry Education Electrical & Electronics Engineering Engineering Health Professions Immunology & microbiology Medicine & Pharmacology Nursing Public Health Veterinary

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POTENSI ANTIINFLAMASI SENYAWA BIOAKTIF DARI SYZYGIUM MYRTIFOLIUM: STUDI MOLECULAR DOCKING BERTARGET COX-2 Putri, Refsya Azanti; Saputra, Muhammad Yogi; Enggelina, Nia Natalia; Windasari, Liska; Ivansyah, Atthar Luqman
Jurnal Buana Farma Vol. 5 No. 2 (2025): Jurnal Buana Farma : Jurnal Ilmiah Farmasi
Publisher : Fakultas Farmasi Universitas Buana Perjuangan Karawang

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.36805/jbf.v5i2.1404

Abstract

Chronic inflammation contributes significantly to various degenerative diseases, with Cyclooxygenase-2 (COX-2) being a central target for anti-inflammatory drug development. Syzygium myrtifolium, a native Indonesian plant, is known to contain a variety of bioactive compounds with pharmacological potential. This study aims to investigate the anti-inflammatory activity of S. myrtifolium active compounds on COX-2 using a molecular docking approach. The tested compounds include avicularin, betulinic acid, ursolic acid, and two flavanones modeled and docked against the COX-2 protein (PDB ID: 5F19) using YASARA. Docking simulations were performed using YASARA software via a blind docking method and visualized through Discovery Studio. The results revealed that four compounds demonstrated stronger binding affinity than celecoxib, with (2S)-7-Hydroxy-5-methoxy-6,8-dimethylflavanone showing the most stable interaction with 9.0450 kcal/mol binding energy. Toxicity prediction suggests these compounds are generally safe based on LD50 values and toxicity class. These findings support the potential of S. myrtifolium as a natural source of COX-2 inhibitors.
Co-Authors Amelia, Silmi Rahma Ani Sri Wahyuni Arifyanto, Mochamad Ikbal Bio Insan Akbar Dede Suhendar Dhenanta, Rafi Prayoga Enggelina, Nia Natalia Falena, Pretty Fitriani, Nita Dwi Ginawanti Maulida Gunawan Gunawan, Untung Irlianto, Kellie M. Jamal Abdul Nasir Muhammad Yogi Saputra Muttaqien, Fahdzi Neng Hani Handayani Palit, Oscar Oleta Prasetyanto, Eko Adi Ravli Maulana Yusuf Refsya Azanti Putri Santika, Aditya Purwa Silmi Rahma Amelia Soni Setiadji Sundari, Citra Deliana Dewi Susanto, Agnes Indarwati Syawly, Adzky Matla Tety Sudiarti Tety Sudiarti Windasari, Liska Yustiarini, Riska Cindi Yusuf Rohmatulloh