Docking dan Uji Toksisitas Secara Insilico untuk Mendapatkan Kandidat Obat Analgesik
Abstract
Salah satu upaya penemuan obat baru untuk mengobati nyeri yang sering terjadi di masyarakat adalah dengan penapisan senyawa bioaktif yang berasal dari alam. Flavonoid merupakan salah senyawa bioaktif alami yang memiliki berbagai khasiat dalam pengobatan seperti sebagai antibakteri, antijamur, antivirus, antioksidan, antiinflamasi, antialergi, antinyeri dan antitumor. Senyawa bioaktif yang terdapat di flavonoid yang memiliki aktivitas sebagai antinyeri seperti gingerol, linalool, limonen, zingeron, zingiberol, anthocyanin, melatonin. Penelitian ini dilakukan untuk mempelajari interaksi senyawa bioaktif flavonoid dengan target reseptor cyclooxygenase 2 yang di unduh dari Protein Data Bank dengan kode 51KR. Untuk mengetahui besarnya interaksi senyawa bioaktif dengan target dilakukan dengan penapisan virtual melalui Protox II Web Server untuk mengetahui toksisitas. Perangkat lunak penambatan molekul yang digunakan adalah Arguslab versi 4.0.1 dan untuk visualisasi hasil menggunakan Discovery Studio 2016. Dari hasil penambatan molekul (Molecular Docking) menunjukan bahwa ketujuh senyawa diatas aman. Binding Energy ketujuh ligan tersebut lebih rendah dibandingkan ligan alami Asam Mefenamat pada RMSD<2 Angstrom, sehingga dapat ditarik kesimpulan bahwa senyawa gingerol, linalool, limonen, zingeron, zingiberol, anthocyanin dan melatonin dapat digunakan sebagai obat antinyeri.
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DOI: http://dx.doi.org/10.21927/inpharnmed.v6i1.1922
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