Studi In Silico Toxicity Stress Response Pathways dan Toxicity Targets Obat Amoxicillin Menggunakan Pendekatan Komputasi

Authors

  • Yuneka Saristiana INDONESIA Prodi Pendidikan Profesi Apoteker, Fakultas Ilmu Kesehatan, Universitas Kadiri
  • Fendy Prasetyawan INDONESIA Prodi Pendidikan Profesi Apoteker, Fakultas Ilmu Kesehatan, Universitas Kadiri
    Competing Interests

    Farmasi

  • Ratna Mildawati INDONESIA Prodi Farmasi, STIKes Ganesha Husada Kediri
    Competing Interests

    Farmasi

  • M Wahyu Ariawan INDONESIA Prodi Farmasi, Fakultas Farmasi, Universitas Mulawarman
    Competing Interests

    Farmasi

  • Widhi Astutik INDONESIA Prodi D3 Farmasi, Fakultas Farmasi, Institut Ilmu Kesehatan Bhakti Wiyata
    Competing Interests

    Farmasi

  • Dian Indrayanti INDONESIA Prodi Pendidikan Profesi Apoteker, Fakultas Ilmu Kesehatan, Universitas Kadiri
    Competing Interests

    Farmasi

DOI:

https://doi.org/10.64595/jmpb.122026.730

Keywords:

Amoxicillin, in silico, ProTox 3.0, Toxicity Stress Response Pathways, Toxicity Targets.

Abstract

Amoxicillin merupakan antibiotik golongan β-laktam yang banyak digunakan dalam terapi infeksi bakteri karena memiliki efektivitas tinggi dan profil keamanan yang baik. Meskipun demikian, evaluasi potensi toksisitas pada tingkat molekuler tetap diperlukan untuk mendukung penggunaan obat yang lebih aman. Penelitian ini bertujuan menganalisis Toxicity Stress Response Pathways dan Toxicity Targets amoxicillin menggunakan pendekatan in silico. Penelitian ini merupakan penelitian deskriptif kuantitatif berbasis komputasi dengan memanfaatkan platform ProTox 3.0. Struktur kimia amoxicillin diperoleh dari basis data PubChem dalam bentuk Canonical SMILES, kemudian dianalisis menggunakan model prediksi toksisitas ProTox. Hasil penelitian menunjukkan seluruh parameter Toxicity Stress Response Pathways, yaitu NRF2/ARE, HSE, MMP, p53, dan ATAD5 diprediksi Inactive dengan probabilitas tinggi (0,96–0,99). Analisis Toxicity Targets mengidentifikasi Amine Oxidase A dan Prostaglandin G/H Synthase 1 dengan nilai Average Pharmacophore Fit masing-masing sebesar 44,59% dan 65,07%, sedangkan Average Similarity to Known Ligands menunjukkan nilai 0% pada kedua target. Hasil tersebut mengindikasikan bahwa amoxicillin memiliki potensi rendah dalam mengaktivasi jalur respons stres seluler maupun berinteraksi dengan target toksisitas berdasarkan prediksi komputasi. Penelitian ini memberikan informasi awal mengenai profil keamanan molekuler amoxicillin yang masih memerlukan validasi melalui penelitian eksperimental.

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2026-08-01

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Vol. 1 No. 2 (2026): Journal of Marine Pharmacy and Biomedicine

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Studi In Silico Toxicity Stress Response Pathways dan Toxicity Targets Obat Amoxicillin Menggunakan Pendekatan Komputasi. (2026). Journal of Marine Pharmacy and Biomedicine, 1(2). https://doi.org/10.64595/jmpb.122026.730

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