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All Journal Pharmaciana: Jurnal Kefarmasian Pharmacon JSFK (Jurnal Sains Farmasi & Klinis) Jurnal Ilmu Kefarmasian Indonesia Jurnal Abdimas Dosma (JAD) Jurnal Farmasi Sains dan Praktis TeknoKreatif: Jurnal Pengabdian kepada Masyarakat JPEMAS: Jurnal Pengabdian Kepada Masyarakat Jurnal Ilmu Kesehatan Jurnal Abdimas Dosma
Rahayyu, Annisa Maulidia
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Journal : Jurnal Ilmu Kefarmasian Indonesia

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Molecular docking and pharmacokinetic prediction of isoniazid and curcumin compounds against N-acetyltransferase 2 (NAT2) protein Simanullang, Gayatri; Rahayyu, Annisa Maulidia; Nabila, Novrilia Atika; Hammami, Akmal; Wardani, Intan Kusuma
JURNAL ILMU KEFARMASIAN INDONESIA Vol 23 No 2 (2025): JIFI
Publisher : Faculty of Pharmacy, Universitas Pancasila

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.35814/jifi.v23i2.1699

Abstract

NAT2 serves as the key enzyme responsible for metabolizing the INH compound, with its expression and functional activity significantly contributing to the risk of hepatotoxicity. Due to the possible inhibitory role of curcumin on NAT2, it is important to assess its effect on the metabolic processing of INH and to examine the enzyme-related interactions that may occur between drugs. Molecular docking studies demonstrated that curcumin can localize in the hydrophobic pocket and form a strong bond with NAT2. The aim of this study was to predict the potential interaction of the isoniazid and curcumin compounds against NAT2 protein. In this study, NAT2 protein (PDB ID: 2PFR) was used as a receptor. The results obtained showed the binding energies of native ligand, isoniazid, and curcumin were -5.78, -4.47, -8.35 kcal/mol, respectively. The findings of this research suggest that curcumin is capable of suppressing NAT2 activity, thereby affecting the pharmacokinetics of INH. These results may offer insights into minimizing INH-related liver toxicity and enhancing its effectiveness through co-administration with curcumin.
Co-Authors Abhimata Paramanandana Dewi Isadiartuti Eni Masruriati Fauzia Azzahra, Fauzia Fauziyya, Riri Hammami, Akmal Hidayati, Evi Nurul Hidayaturahmah, Rizky intan kusuma wardani Masruriwati, Eni Nabila, Novrilia Atika Retno Sari Riana, Elisa Nurma Rooswita, Putri Amelia Safitri, Novi Andreyani Sari, Untia Kartika Sarmoko Sarmoko Setyawan, Irfanianta Arif Simanullang, Gayatri Tantri Liris Nareswari Windari, Nurul Irna Winni Nur Auli