Journal Pharmaceutical Science and Application Volume 5, Issue 1, Page 53-58, June 2023 E-ISSN: 2301-7708 53 DOI : https://doi.org/10.24843/JPSA.2023.v05.i01.p07 IN SILICO TOXICITY OF ANTHOCYANIN COMPOUNDS (CYANIDIN AND PEONIDIN) Ni Made Pitri Susanti 1* , I Nyoman Triadhi Wisesa 1 , Chenme Juwianti 1 1 Study Program of Pharmacy, Faculty of Mathematics and Natural Sciences, Universitas Udayana, Badung-Indonesia Corresponding author email: dekpitsusanti@unud.ac.id ABSTRACT Backgrounds: Cyanidin and peonidin, anthocyanin compounds, have many in silico, in vitro, and in vivo activities, including antioxidant, anticancer, antihyperlipidemic, and antidiabetic. Toxicity testing is carried out to determine the potential hazard that may be produced by the test compound. Objective: This study was aimed to determine the in silico toxicity of anthocyanins (cyanidin and peonidin) using Toxtree v3.1.0 software. Methods: In silico toxicity testing was carried out using 2D structures of cyanidin and peonidin with Cramer rules, Verhaar scheme, Benigni/Bossa rulebase, Kroes TTC decision tree, Eye Irritation/Corrosion and Skin Irritation/Corrosion parameters. Data analysis on the results of the tested toxicity parameters was carried out descriptively. Results: The results showed that the two compounds have the same category for the toxicity parameters of Cramer Rules (class III), Kroes TTC Decision Tree (substance would not be expected to be safety concern), Benigni/Bossa Rulebase (Negatif for genotoxic and nongenotoxic carcinogenicity), Eye Irritation/Corrosion and Skin Irritation/Corrosion (not irritating or corrosive). Different results are shown in the parameters of the Verhaar Scheme, where cyanidin is included in class 5 (cannot be classified based on this parameter), while peonidin is included in class 1 (narcosis or basic toxicity). Conclusion: Based on in silico toxicity, cyanidin and peonidin have a chemical structure that has the potential for toxicity, but these compounds are neither potentially genotoxic nor non-genotoxic carcinogenicity, and are not potentially toxic to the skin and eyes. The toxicity mechanism of cyanidin cannot be classified based on the test parameters while peonidin is narcosis or basic toxicity. Keywords: Anthocyanin; Cyanidin; Peonidin; Toxicity; In Silico INTRODUCTION Anthocyanins are a class of flavonoids found in plants with the characteristic of giving bright colors such as orange, red and blue. There are six types of anthocyanins commonly found in higher plants, namely: cyanidin, pelargonidin, petunidin, malvidin, peonidin, and delvinidin [1] . Many plants contain anthocyanins, one of which is the purple sweet potato (Ipomoea batatas L.). Anthocyanin in purple sweet potato is known to have activity as an antioxidant, anti-inflammatory, anticarcinogenic, antiulcer, hepatoprotective, and hypouricemia [2-7] . In purple sweet potato root, the highest anthocyanin content is cyanidin and peonidin [2] . In silico, cyanidin and peonidin also have the potential to inhibit porcine pancreatic α- amylase as anti-diabetic type 2, inhibit superoxide dismutase as an antioxidant, and HMG-CoA reductase inhibitors as antihyperlipidemia [8-10] .