02128nas a2200217 4500008004100000245013100041210006900172260001700241300001400258490000700272520143700279653001801716653001301734653001801747653002001765653002201785100002501807700002601832700001701858856003501875 2019 eng d00aVirtual Screening of Indonesian Herbal Database as alpha-Amino-3- Hydroxy-5-Methyl-4 Isoxazolepropionic Acid (AMPA) Antagonist0 aVirtual Screening of Indonesian Herbal Database as alphaAmino3 H cOctober 2019 a1204-12100 v113 a

Objective: Ischemic stroke is one type of circulatory disturbance caused by blood clots that block blood flow to the brain. One of the impact of ischemia is nerve cell damage due to excitotoxicity. Inhibition of the ionotropic glutamate receptor such as the AMPA receptor, becomes an essential approach to the treatment of ischemia. This study aims to explore the possibility of an Indonesian herbal compound as an AMPA receptor antagonist. Methods: In this study, virtual screening of 2233 herbal compounds was performed by docking method using AutoDock to find the antagonist candidate of AMPA receptor from Indonesian herbal database. The virtual screening method was validated by an area under curve (AUC) of the ROC curve and enrichment factor (EF). Lipinski’s Rule of Five was used to filter the screening result. Results: The validation of virtual screening result showed that AUC was 0.9385 and EF 1% was 23.5550. The screening result of Indonesian herbal database showed top five compound sanggenol O, blazeispirol X, progesterone, nimolicinol and boeravinone F (-8.51; -8.39; -8.19; -8.17; -8.08 kcal/mol, respectively) and have interaction with TYR61 and THR91 residues of AMPA receptor. Conclusion: Five compounds of the Indonesia herbal database were shown as hits of AMPA receptor antagonist based on the docking method.

10aAMPA receptor10aAutoDock10aHerbal plants10aNeuroprotective10aVirtual Screening1 aSyahdi, Rezi, Riadhi1 aMartinah, Chindy, Dwi1 aYanuar, Arry uhttps://phcogj.com/article/998