Molekuler Docking Senyawa Fenolik Daun Kelor Terhadap Enzim Collagenase, Elastase, Dan Tyrosinase
Molecular Docking of Phenolic Compounds from Moringa Leaves Against Collagenase, Elastase, and Tyrosinase Enzymes
DOI:
https://doi.org/10.54771/c57mvx68Keywords:
collagenase , elastase, tyrosinase, daun kelor, anti-agingAbstract
Kulit merupakan organ terbesar, essensial dan berfungsi sebagai sensor luar bagi tubuh yang rentan terhadap penuaan (skin aging) yang dipicu oleh faktor intrisik dan ekstrinsik melalui produksi Reactive oxygen species (ROS). Oksidan ini mempengaruhi aktivitas enzim collagenase, elastase, dan tyrosinase yang berperan dalam degradasi struktur kulit. Dengan demikian perlu adanya pemanfaatan herbal guna meregulasi ketiga enzim tersebut, salah satunya adalah daun kelor yang kaya akan antioksidan. Penelitian ini bertujuan untuk mengetahui aktivitas inhibisi senyawa aktif fenolik daun kelor dengan pendekatan molekular docking. Penelitian dilakukan dengan tahapan meliputi preparasi dan optimasi senyawa ligan, serta makromolekul target, menambatkan koordinat gridbox, pembuatan berkas GPF dan DPF serta simulasi, analisis dan visualisasi hasil docking menggunakan perangkat lunak diantara nya Marvin Sketch 15.5.11, Chimera 1.10.2, PyMol 2.3.3, Discovery Studio V21.1.0.20298, dan Autodock 4.2. Hasil menunjukkan bahwa asam klorogat memberikan ikatan terkuat terhadap collagenase (∆G = -8,54 kkal/mol), sementara asam elagat menunjukkan afinitas tertinggi terhadap elastase dan tyrosinase. Studi ini menyimpulkan bahwa senyawa fenolik daun kelor berpotensi sebagai kandidat anti-aging yang berikatan denganenzim target yang berperan dalam proses penuaan kulit.
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