Analisis in Silico Potensi Farmakokinetik senyawa Methyl salicylate 2-O-β-D-glucopyranoside dari Ekstrak Daun Sirih Merah (Piper crocatum)

Errol Rakhmad Noordam, Anjas Wilapangga, Dewi Rahmawati

Abstract


Red betel leaf (Piper crocatum) is a plant known for its various health properties in traditional medicine and contains the active compound methyl salicylate 2-O-β-D-glucopyranoside. This research aims to screen in silico studies to analyze the potential pharmacokinetics and toxicity of the methyl salicylate compound 2-O-β-D-glucopyranoside. The method used in this research is computational (In Silico) by carrying out a scientific search for the active compound methyl salicylate 2-O-β-D-glucopyranoside in red betel leaf extract (Piper crocatum). The method in this research is to predict the physicochemical properties and toxicity of compounds in silico. Toxicity prediction of the terpenoid compound methyl salicylate 2-O-β-D-glucopyranoside was carried out using the protox II online tool. Based on the screening results using the pKCSM tool, it was found that the molecular weight was 314.29 g/mol, indicating that the compound was easily absorbed. The results of the pkCSM Tools screening showed a water solubility value of -1,593 (low), meaning that this drug is less soluble in water, which will affect its absorption in the intestine. The results of PkCSM Absorption, distribution, metabolism, excretion and Toxicity showed the answer no, which means that this drug is not affected by the P-glycoprotein transporter protein which can increase its absorption. The total excretion clearance value was 0.298 mL/minute/kg, indicating that this drug was excreted from the body at a low rate.

Keywords


Piper crocatum; Methyl salicylate 2-O-β-D-glucopyranoside; in Silico; Protox II; pKCSM

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DOI: https://doi.org/10.37311/ijpe.v4i2.26958

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