PREDICTION OF THE PHARMACOKINETIC PROPERTIES AND THE TOXICITY OF (+)-CATECHIN-3-O-GALLATE , (-)-EPIGALCATECHINO-3-O-GALLATE AND FLAVANOL DERIVATE COMPOUNDS AS CANDIDATE FOR COMPREHENSIVE ANTIDIABETIC DRUGS

Herson Cahaya Himawani¹ , Eem Masaenah² , Arlin Nurcahya³

¹Sekolah Tinggi Teknologi Industri dan Farmasi Bogor

² Sekolah Tinggi Teknologi Industri dan Farmasi Bogor

³Sekolah Tinggi Teknologi Industri dan Farmasi Bogor

Corresponding author: hersonindonesia2011@gmail.com

ABSTRACT

Background Dyslipidemia is an accompanying complications of uncontrolled type 2 diabetes mellitus (DM), so it needs to develop a comprehensive DM therapy. Flavanol derivates from pu-erh tea (Camellia sinensis var. assamica) in vitro have activities for comprehensive DM therapy and as QSAR (Quantitative Relation of Structure) and Activity with the hansch approach  obtained  two potential candidate compounds as antihyperlipidemic and antihyperglycemic (+)-CATECHIN-3-O-GALLATE , (-)-EPIGALCATECHINO-3-O-GALLATE AND  FLAVANOL DERIVATE. The purpose of this study was to prediction of  the pharmacokinetic properties and toxicity of  (+)-CATECHIN-3-O-GALLATE , (-)-EPIGALCATECHINO-3-O-GALLATE AND FLAVANOL DERIVATE coumpounds iand to analyze their interactions with the target proteins of the enzyme maltase and lipase enzyme in silico. Materials and Methods Pharmacokinetic activity is predicted by the online pkCSM. Toxicity test was predicted  by using Toxtree software and analysis of the interaction of compounds and target proteins using Vina Autodock and visualized using Ligplot+ and Discovery Visualizer. The results showed that compound (+)-catechin-3-O-galat had good pharmacokinetic activity compared to (-)-epigallocatechin-3-O-galat compounds, found  other flavanol derivatives wich have the best pharmacokinetic activity, namely (+)-gallocatechin with binding affinity to the maltase enzyme 8,6 kcal/mol and to the lipase enzyme 9,0 kcal/mol. Predictions of toxicity (+)-catechin-3-O-galat compounds and (+)-galokatekin compounds have low toxicity, so they have the potential as candidates for comprehensive antidiabetic drugs.

Keyword : Pharmacokinetics, diabetes, flavanol, insilico, toxicity.