Analisis Komputasi untuk Memprediksi Organ Toxicity dan Toxicity End Points pada Penggunaan Paracetamol

Authors

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

    Farmasi

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

    Farmasi

  • Tsamrotul Ilmi INDONESIA Prodi Pendidikan Profesi Apoteker, Fakultas Ilmu Kesehatan, Universitas Kadiri
    Competing Interests

    Farmasi

  • Sri Lestari INDONESIA Prodi Farmasi, Fakaultas Ilmu Kesehatan, Universitas Kadiri
    Competing Interests

    Farmasi

DOI:

https://doi.org/10.64595/jmpb.122026.737

Keywords:

Paracetamol; ProTox-3.0; Organ toxicity; Toxicity end points; In silico.

Abstract

Paracetamol merupakan analgesik dan antipiretik yang digunakan secara luas karena efektivitas dan profil keamanannya. Namun, penggunaan yang tidak rasional atau melebihi dosis terapi dapat meningkatkan risiko toksisitas pada berbagai organ. Pendekatan in silico menggunakan ProTox-3.0 dapat dimanfaatkan sebagai metode awal untuk mengevaluasi profil toksisitas suatu senyawa secara cepat dan efisien. Penelitian ini bertujuan menganalisis prediksi Organ toxicity, Toxicity end points, dan Toxicity Target pada paracetamol menggunakan platform ProTox-3.0. Penelitian ini merupakan penelitian deskriptif dengan pendekatan in silico. Struktur molekul paracetamol diperoleh dari PubChem dalam format SMILES, kemudian dianalisis menggunakan ProTox-3.0 untuk memprediksi Organ toxicity, Toxicity end points, dan Toxicity Target. Data dianalisis secara deskriptif berdasarkan status prediksi dan nilai probabilitas. Hasil: Paracetamol diprediksi memiliki potensi Organ toxicity berupa hepatotoksisitas (0,74), neurotoksisitas (0,80), nefrotoksisitas (0,57), dan toksisitas respirasi (0,52), sedangkan kardiotoksisitas diprediksi Inactive (0,89). Pada Toxicity end points, parameter BBB-barrier (0,90) dan Clinical toxicity (0,58) diprediksi Active, sementara Carcinogenicity, Immunotoxicity, Mutagenicity, Cytotoxicity, Ecotoxicity, dan Nutritional toxicity diprediksi Inactive. Analisis Toxicity Target mengidentifikasi Prostaglandin G/H Synthase 1 sebagai target potensial dengan Avg Similarity Known Ligands sebesar 72,55%. ProTox-3.0 berhasil memberikan gambaran awal mengenai profil toksisitas paracetamol dan menunjukkan bahwa obat ini memiliki potensi toksisitas terhadap beberapa organ serta target biologis tertentu yang dapat menjadi dasar penelitian lanjutan secara eksperimental.

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Published

2026-08-01

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

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How to Cite

Analisis Komputasi untuk Memprediksi Organ Toxicity dan Toxicity End Points pada Penggunaan Paracetamol. (2026). Journal of Marine Pharmacy and Biomedicine, 1(2). https://doi.org/10.64595/jmpb.122026.737

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