Pharmacokinetics and Toxicity Overview of Active Compounds - Drug-Likeness, ADMET Prediction, and In Vivo Extract Toxicity Assessment

Sep 29, 2026

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Fibraurea tinctoria has been used traditionally for malaria, jaundice, and diabetes, motivating evaluation of its active alkaloids berberine, palmatine, and jatrorrhizine. The study investigates drug-likeness and ADMET properties via pkCSM, ProTox-II, and SwissADME, and measures acute extract toxicity using OECD 425 in silico and in vivo approaches. In silico results suggest favorable pharmacokinetics with potential oral toxicity, while the in vivo acute test shows no toxicity, with LD50 above 5000 mg/kg.

LanguageEnglish

CategoryHealthcare

FormatPDF

Pages9

Reading Time23 min

AccessFree to download

Introduction

Traditional use and pharmacological background

In silico drug-likeness and ADMET prediction

In vivo acute toxicity assessment

Wiley Journal of Toxicology Volume 2025, Article ID 7251602, 9 pages [https://doi.org/10.1155/jt/7251602](https://doi.org/10.1155/jt/7251602) Research Article Pharmacokinetics and Toxicity Overview of Active Compounds Berberine, Palmatine, and Jatrorrhizine From Fibraurea tinctoria Lour: Drug-Likeness, ADMET Prediction, and In Vivo Extract Toxicity Assessment Indah Purwaningsih , 1,2 Iman Permana Maksum , 1 Dadan Sumiarsa, 1 and Sriwidodo Sriwidodo3 1 Department of Chemistry, Faculty of Mathematics and Natural Science, Universitas Padjadjaran, Sumedang 45363, Indonesia 2 Department of Medical Laboratory Technology, Poltekkes Kemenkes Pontianak, Pontianak 78124, Indonesia 3 Department of Pharmaceutics and Pharmaceutical Technology, Faculty of Pharmacy, Universitas Padjadjaran, Sumedang 45363, Indonesia Correspondence should be addressed to Indah Purwaningsih; [indah20013@mail.unpad.ac.id and Iman Permana Maksum](indah20013@mail.unpad.ac.id and Iman Permana Maksum); [iman.permana@unpad.ac.id](iman.permana@unpad.ac.id) Received 18 November 2024; Revised 9 September 2025; Accepted 17 October 2025 Academic Editor: Phuping sucharitakul Copyright © 2025 Indah Purwaningsih et al. Journal of Toxicology published by John Wiley & Sons Ltd. Tis is an open access article under the terms of the Creative Commons Attribution License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited. Fibraurea tinctoria Lour has long been used by the indigenous ethnic groups of Kalimantan in the traditional treatment of malaria, jaundice, and diabetes mellitus. Tis study aimed to evaluate the drug-likeness and ADMET properties of the active compounds berberine, palmatine, and jatrorrhizine and to assess the acute toxicity of the plant extract using in silico and in vivo approaches. Insilico analysis was performed using the pkCSM, ProTox-II, and SwissADME online web servers to predict drug-likeness and ADMET of compounds from Fibraurea tinctoria Lour. Te in vivo acute toxicity of the extract was evaluated according to the Organization for Economic Cooperation and Development (OECD) 425 guideline. In silico studies have demonstrated that berberine, palmatine, and jatrorrhizine exhibit favorable drug-likeness and pharmacokinetic properties but indicate potential oral toxicity. In contrast, the in vivo acute toxicity study revealed no toxicity or adverse efects, with an LD50 greater than 5000 mg/kg. Tese fndings indicate that despite the in silico prediction showing the potential toxicity of these three compounds, the extract exhibited relative safety based on in vivo tests and has the potential for further pharmacological development. 1. Introduction Natural product-based traditional medicine has an extensive historical background and is widely used in numerous countries for health maintenance, disease prevention, and treatment of diverse medical conditions. Ancestral healing practices are frequently transmitted through familial lineages as components of cultural traditions. Consequently, individuals often use these remedies without considering potential adverse efects [1] . Fibraurea tinctoria has long been used by indigenous tribes in Kalimantan for the treatment of various diseases, including malaria, jaundice, and diabetes mellitus. Te bark, leaves, roots, and stems were the most frequently used sections. Tis plant exhibits many pharmacological activities, including antidiabetic, antioxidant, anti-infammatory, antimalarial, antimicrobial, and anticancer activities [2–4]. In vivo studies have shown that this plant extract efectively reduces blood glucose levels in animals with diabetes mellitus [5–7]. Evaluation of antioxidant activity using DPPH and mSOD methods showed that this plant has good antioxidant activity [3]. Phytochemical analysis of this plant has revealed the presence of secondary metabolites, including alkaloids, phenolics, favonoids, saponins, tannin

FAQs

What compounds from Fibraurea tinctoria are evaluated in this study?

The study evaluates the active compounds berberine, palmatine, and jatrorrhizine, focusing on their drug-likeness, ADMET properties, and the acute toxicity of the plant extract.

How were drug-likeness and ADMET properties predicted?

Drug-likeness and ADMET were predicted using the pkCSM, ProTox-II, and SwissADME online web servers.

What did the in vivo acute toxicity study find?

The in vivo acute toxicity assessment reported no toxicity or adverse effects, with an LD50 greater than 5000 mg/kg.

Sep 29, 2026

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