Studi Docking Molekular Senyawa Turunan Kuinolin terhadap Reseptor Estrogen-α (Molecular Docking Study of Quinoline Derivatives Towards Estrogen-α Receptor)

Jurnal Surya Medika, Volume 2, No. 1, 2016

7 Pages Posted: 9 Aug 2017

Date Written: March 1, 2016

Abstract

Indonesian Abstract: Estrogen-α (ER-α) merupakan target utama pada terapi kanker payudara jenis ER . Inhibisi pada ER-α diketahui dapat memperlambat proliferasi sel kanker payudara ER . Senyawa turunan kuinolin diketahui memiliki aktivitas antikanker dengan menghambat beberapa jenis reseptor. Belum diketahui apakah kuinolin dapat menghambat ER-α. Penelitian ini bertujuan untuk mengetahui interaksi antara ER-α dengan senyawa turunan kuinolin. Docking molekular terhadap ER-α menunjukkan bahwa kuinin memberikan energi bebas ikatan paling negatif dan konstanta inhibisi paling kecil, secara berturut-turut sebesar -8,73 kcal/mol dan 0,398 μM. Hasil ini memberikan prediksi bahwa kuinin memiliki aktivitas sebagai inhibitor ER-α dan memiliki potensi untuk dikembangkan pada terapi kanker payudara ER . Meski demikian, afinitas yang ditunjukkan kuinin lebih rendah dibandingkan 4-hidroksitamoksifen, inhibitor poten ER-α.

English Abstract: Estrogen-α (ER-α) is a major target in ER-positive breast cancer therapy. Inhibition of ER-α is known to slow the proliferation of ER-positive breast cancer cells. Quinoline derivatives are known to have anticancer activity by inhibiting some receptor types. However, whether quinoline can inhibit ER-α is still unknown. This study aims to determine the interaction between ER-α with quinoline derivatives compounds. Molecular docking of ER-α shows that quinine provides the most negative free energy of binding and the smallest inhibitory constant with -8.73 kcal/mol and 0.398 μM, respectively. These results provide predictions that quinine has activity as an ER-α inhibitor and has the potential to be developed in ER-positive breast cancer therapy. However, the affinity shown by quinine is still lower than 4-hydroxytamoxifen, a potent inhibitor ER-α.

Note: Downloadable document is in Indonesian.

Keywords: Docking, ER-α, Quinine, Quinoline

Suggested Citation

Pratama, Mohammad Rizki Fadhil, Studi Docking Molekular Senyawa Turunan Kuinolin terhadap Reseptor Estrogen-α (Molecular Docking Study of Quinoline Derivatives Towards Estrogen-α Receptor) (March 1, 2016). Jurnal Surya Medika, Volume 2, No. 1, 2016. Available at SSRN: https://ssrn.com/abstract=3007719

Mohammad Rizki Fadhil Pratama (Contact Author)

Universitas Muhammadiyah Palangkaraya ( email )

RTA Milono Street Km. 1.5
Palangka Raya, Central Kalimantan 73111
Indonesia

HOME PAGE: http://www.umpalangkaraya.ac.id

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