Identifikasi Senyawa Aktif Pala (Myristica fragrans) sebagai Terapi Komplementer Antihipertensi melalui Penghambatan Reseptor ACE: Sebuah Studi Penambatan Molekuler: Identification of Acrive Compounds from Nutmeg (Myristica fragrans) as Complementary Antihypertensive Therapies Through ACE receptor Inhibition: A Molecular Docking Study

Muhammad Despriansyah  Romadhan; Putri Mahirah  Afladhanti; Ni Made Dyah Gayatri

Authors

Muhammad Despriansyah Romadhan Program Studi Profesi Dokter, Fakultas Kedokteran, Universitas Sriwijaya, Indonesia Author https://orcid.org/0000-0001-5310-9235
Putri Mahirah Afladhanti Program Studi Profesi Dokter, Fakultas Kedokteran, Universitas Sriwijaya, Indonesia Author https://orcid.org/0009-0007-1626-259X
Ni Made Dyah Gayatri Program Studi Profesi Dokter, Fakultas Kedokteran, Universitas Sriwijaya, Indonesia Author https://orcid.org/0000-0001-8577-1055

Keywords:

Antihipertensi, Myristica fragrans, Catechin, Beta-caryophyllene, Alpha-bergamotene

Abstract

Hipertensi merupakan salah satu masalah kesehatan terbesar yang menjadi penyebab utama kematian di seluruh dunia. Angiotensin converting enzyme inhibitor (ACE-I) sebagai obat antihipertensi yang umum diketahui memiliki efek samping yang sering dikeluhkan. Penelitian ini bertujuan untuk mengidentifikasi senyawa potensial yang berasal dari pala (Myristica fragrans) sebagai antihipertensi dengan menggunakan studi penambatan molekular. Dua puluh tiga senyawa pala bersama dengan captopril digunakan dalam penelitian ini melalui pencarian literatur dan penyaringan daring. Senyawa dan obat pembanding diunduh melalui PubChem sementara reseptor target pada pada RCSB. Swiss ADME, ProTox-II, dan admetLab digunakan untuk mengevaluasi senyawa mirip obat dan memprediksi toksisitas senyawa. Senyawa dan captopril dilakukan penambatan molekular pada reseptor target ACE menggunakan Autodock tools 1.5.6 dan Autodock Vina serta visualisasi interaksi molekul dengan aplikasi Discovery Studio v16. Hasil penelitian menunjukkan seluruh senyawa memenuhi kriteria sebagai obat dan memiliki afinitas terhadap ACE. Catechin, beta-caryophyllene, dan alpha-bergamoten tidak toksik dan menunjukkan interaksi molekul yang kuat pada ACE dibanding dengan captopril dan senyawa lain dengan energi ikatan masing-masing -8,2, -7,3, -7,2 kkal/mol. Catechin, beta-caryophyllene, dan alpha-bergamoten berpotensi untuk dikembangkan sebagai ACE-I. Penelitian in vitro dan in vivo lebih lanjut diperlukan agar dapat dilakukan uji klinis.

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Identifikasi Senyawa Aktif Pala (Myristica fragrans) sebagai Terapi Komplementer Antihipertensi melalui Penghambatan Reseptor ACE: Sebuah Studi Penambatan Molekuler

Identification of Acrive Compounds from Nutmeg (Myristica fragrans) as Complementary Antihypertensive Therapies Through ACE receptor Inhibition: A Molecular Docking Study

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