UJI AKTIVITAS ANTIKANKER PAYUDARA SENYAWA ANDROGRAFOLIDA DARI TUMBUHAN SAMBILOTO (Andrographis paniculata (Burm F) Ness.) TERHADAP HUMAN EPIDERMAL GROWTH FACTOR RECEPTOR 2 (HER-2) SECARA IN SILICO

Sintya Suherlan, Rohayah Rohayah, Taufik Muhammad Fakih

Abstract


Kanker payudara merupakan suatu keadaan dimana sel telah kehilangan pengendalian dan mekanisme normalnya, sehingga terjadi pertumbuhan yang tidak normal, cepat, dan tidak terkendali pada jaringan payudara. Kanker payudara dapat menyebabkan kematian pada kaum wanita. Andrographolide merupakan salah satu senyawa antikanker yang terkandung pada tanaman sambiloto (Andrographis Paniculata (Burm F) Ness.). Adapun reseptor Human Epidermal Growth Factor Receptor 2 (HER-2) merupakan resepor yang memiliki peranan penting pada kanker payudara. Tujuan pada peneitian ini adalah untuk mengetahui afinitas dan interaksi antara senyawa Andrographolide dan Dendronpholide G dengan reseptor HER-2 secara in silico. Pada penelitian ini dilakukan identifikasi sifat fisikokimia senyawa Andrographolide dan Dendronpholide G dengan menggunakan server swiss-ADME. Kemudian senyawa tersebut dioptimasi menggunakan software Avogadro. Setelah mendapatkan konformasi senyawa uji terbaik kemudian dilakukan tahap selanjutnya yaitu simulasi molecular docking menggunakan reseptor HER-2 terhadap senyawa uji menggunakan software MGL Tools 1.5.6 yang dilengkapi Autodock Tools 4.2. Adapun hasil penelitian yang diperoleh yaitu interaksi yang terjadi pada senyawa uji Andrographolide menghasilkan energi bebas ikatan sebesar −5,42 Kcal/mol dan nilai konstanta inhibisi 105,72 nM, sedangkan Dendranpholide G menghasilkan energi bebas ikatan sebesar −3,67 Kcal/mol dan nilai konstanta inhibisi 2,05 µM. Interaksi pada senyawa Andrographolide dan Dendranpholide G dengan reseptor HER-2 yaitu 1 ikatan hidrogen (MET801) dan terdapat 4 interaksi hidrofobik (MET801, LEU726, ALA751, LEU852). Hasil dari simulasi molecular docking dapat diprediksi bahwa senyawa Andrographolide memiliki afinitas yang baik dibandingkan senyawa Dendranpholide G maka dapat dinyatakan sebagai kandidat antikanker payudara.


Keywords


Kanker Payudara, Andrographolide, Dendronpholide G, Human Epidermal Growth Factor Receptor 2 (HER-2), Molecular Docking

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DOI: https://doi.org/10.29313/jiff.v4i2.7784

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