In Silico Analysis of Irisflorentin and Irilone Compound on Stone Root Tubers ( Gerrardanthus macrorhizu Harv.ex Benth. & Benth. &HooK.f.) as an Antitussive Maria Angelina Genere Koban (a*) Sri Rahayu Lestari (b), Frida Kunti Setiowati (c)
Department of Biology Postgraduate State University of Malang. Jln. Semarang No.5
Abstract
Cough as a defensive reflex can protect the respiratory tract from the entry of foreign objects. Dextromethorphan as an antitussive drug is antagonistic to NMDA receptors. This study aims to analyze the potential of irisflorentin and irilone as antitussives based on their binding affinity to the NMDA receptor, biooral potential, and toxicity by in silico approach. The results showed that dextromethorphan and irilone bind to NMDA receptors on amino acid residues, namely ILE A: 85, MET A: 145, ALA B: 888, SER B: 885, THR B: 884 while dextromethorphan and irisflorentin bind to NMDA receptors at residues. The same amino acids are GLU A: 84, ILE A: 85, MET A: 145, SER A: 81, THR B: 884, and SER B: 885. The affinity value of irisflorentin (-6.5 kcal/mol) is smaller than that of dextromethorphan (-6.4 kcal/mol) and irilone -6.4 kcal/mol is the same as dextromethorphan. This shows that both compounds have almost the same ability to bind to the NMDA glutamate receptor, so it is predicted that both have similar potential to dextromethorphan as an antitussive. The results of the toxicity test showed that both could be taken orally and had little risk if consumed not exceeding the exposure threshold.
Keywords: Antitussive, Dextromethorphan, Stone Root Tubers, In Silico
