Analisis Profil ADMET Bioaktif Tanaman Jahe Merah (Zingiber officinale Var. Rubrum)
DOI:
https://doi.org/10.29313/bcsp.v6i2.26158Keywords:
Zingiber officinale var. rubrum, ADMET, In silicoAbstract
Abstract. Red ginger (Zingiber officinale var. rubrum) is a medicinal plant rich in secondary metabolites with diverse biological activities. However, not all bioactive compounds possess favorable pharmacokinetic and safety properties required for drug development. This study aimed to analyze the Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) profiles of red ginger bioactive compounds using an in silico approach. Compound data were collected from the IMPPAT, KNApSAcK, and Dr. Duke's Phytochemical and Ethnobotanical Databases, followed by duplicate removal. Pharmacokinetic screening was performed using SwissADME based on Lipinski's Rule of Five (zero violations) and a bioavailability score ≥0.55. Toxicity prediction was subsequently conducted using ProTox-II with LD₅₀ ≥2000 mg/kg, toxicity class ≥5, and organ toxicity assessment. A total of 1,873 compound records were identified, resulting in 1,225 unique compounds after deduplication. Among these, 745 compounds fulfilled the drug-likeness criteria, while 372 compounds met all predefined toxicity criteria. These findings demonstrate that an in silico ADMET screening strategy is effective for prioritizing red ginger bioactive compounds with favorable pharmacokinetic and predicted safety profiles for further drug discovery research.
Abstrak. Jahe merah (Zingiber officinale var. rubrum) merupakan tanaman obat yang kaya akan metabolit sekunder dengan berbagai aktivitas biologis. Namun, tidak seluruh senyawa bioaktif memiliki karakteristik farmakokinetik dan keamanan yang memadai untuk dikembangkan sebagai kandidat obat. Penelitian ini bertujuan menganalisis profil Absorption, Distribution, Metabolism, Excretion, dan Toxicity (ADMET) senyawa bioaktif jahe merah menggunakan pendekatan in silico. Data senyawa diperoleh dari database IMPPAT, KNApSAcK, dan Dr. Duke's Phytochemical and Ethnobotanical Databases, kemudian dilakukan eliminasi duplikasi. Skrining farmakokinetik dilakukan menggunakan SwissADME berdasarkan parameter Lipinski's Rule of Five tanpa pelanggaran dan bioavailability score ≥0,55. Selanjutnya, profil toksisitas dievaluasi menggunakan ProTox-II berdasarkan nilai LD50 ≥2000 mg/kg, kelas toksisitas ≥5, serta prediksi toksisitas organ. Hasil identifikasi memperoleh 1.873 data senyawa yang setelah deduplikasi menjadi 1.225 senyawa unik. Sebanyak 745 senyawa memenuhi kriteria drug-likeness, sedangkan 372 senyawa memenuhi seluruh parameter toksisitas yang ditetapkan. Hasil penelitian menunjukkan bahwa pendekatan ADMET berbasis in silico efektif dalam memprioritaskan senyawa bioaktif jahe merah yang memiliki karakteristik farmakokinetik dan profil keamanan yang baik untuk penelitian lanjutan.
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