Studi In Silico Senyawa dari Herba Sambiloto (Andrographis paniculata) terhadap Protein Dihydrofolate Reductase (4KM2) pada Mycobacterium tuberculosis

Ita Inayah (1) , Ginayanti Hadisoebroto (2) , Fauziyyah Nur Aini (3)
(1) Fakultas Matematika dan IPA Universitas Al-Ghifari,
(2) Fakultas Matematika dan IPA Universitas Al-Ghifari,
(3) Fakultas Matematika dan IPA Universitas Al-Ghifari
https://doi.org/10.53675/jsfar.v12i1.1317
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Terbitan
Vol 12 No 1 (2024): SABDARIFFARMA
Telah diserahkan
2024-08-28
Diterbitkan
2024-08-29
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Abstrak

Tuberculosis merupakan satu dari 10 penyebab kematian  yang  merupakan  penyebab  utama  dari  agen infeksi  tunggal. Tuberculosis (TB) adalah penyakit infeksi menular yang disebabkan oleh bakteri Mycobacterium tuberculosis. Dihydrofolate reductase (DHFR) adalah salah satu protein yang berperan penting dalam biosintesis nukleotida dan disetujui sebagai target obat antibakteri dan antikanker. Penelitian ini bertujuan untuk mencari senyawa dalam tanaman sambiloto yang paling berpotensi sebagai antituberkulosis. Penelitian ini dilakukan secara in silico, tahapan awal dari metode in silico adalah pengujian toksisitas dan pengujian ADME secara virtual melalui web server pro tox II dan web server pkCSM, proses molecular docking senyawa uji terhadap protein Dihydrofolate reductase menggunakan software autodock tools yang dilakukan melalui beberapa tahap yaitu preparasi senyawa uji dan reseptor, validasi metode docking dan visualisasi docking senyawa uji dengan reseptor menggunakan software discovery studio. Hasil molecular docking menunjukkan senyawa 7-O-methylwogonin, wogonin dan apigenin merupakan senyawa yang paling berpotensi sebagai obat antituberkulosis dengan nilai Binding affinity berturut-turut sebesar -6,59 kkal/mol, -6,49 kkal/mol, -5,80 kkal/mol dan nilai konstanta inhibsi berturut-turut sebesar 14,84 μm, 17,53 μm, 55,87 μm. Selain itu ketiga senyawa tersebut memiliki sisi ikatan dan jenis ikatan yang hampir sama dengan trimethoprim sehingga dapat diprediksikan menjadi kandidat obat antibakteri dan dapat menghambat reseptor Dihydrofolate reductase.

Penulis

Ita Inayah
Fakultas Matematika dan IPA Universitas Al-Ghifari
Ginayanti Hadisoebroto
Fakultas Matematika dan IPA Universitas Al-Ghifari
Fauziyyah Nur Aini
Fakultas Matematika dan IPA Universitas Al-Ghifari

Cara Mengutip

Studi In Silico Senyawa dari Herba Sambiloto (Andrographis paniculata) terhadap Protein Dihydrofolate Reductase (4KM2) pada Mycobacterium tuberculosis. (2024). Jurnal Sabdariffarma: Jurnal Ilmiah Farmasi, 12(1), 32-50. https://doi.org/10.53675/jsfar.v12i1.1317

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