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8113161 
Journal Article 
Virtual screening of apigenin derivative compounds acting as antioxidant using molecular docking method 
Esti, M; Esti, M; Titiek, M; Frans, W 
2019 
1 
Research Journal of Chemistry and Environment
ISSN: 0972-0626 
World Research Association 
23 
11 
19-26 
English 
Free radicals are a group of chemical compounds that can trigger occurrence of degenerative diseases dan required antioxidants to counter it. The examples of antioxidants compounds are vitamin C, vitamin E and flavonoids like apigenin with IC50 values of 463,4 μg/ml. The purpose of this study was to find alternative antioxidants that may have better activity than the existing antioxidants using the molecular docking method using target receptors with 1QQW, 1V4S, 2BEL, 2C9V, 4K7O and 5M2F PDB codes that met the requirements of RMSD values less than 2 Å´ and using vitamin C, vitamin E, quercetin and apigenin as comparable compounds that have been tested to have antioxidant activity. Of the 30 apigenin derived compounds used with an IC50 value below 100 μg/mL, one of the best compounds of each receptor with the lowest ChemPLP values was 3,3′-diisopropoxy apigenin (1QQW); 3′-amine apigenin(1V4S); 3′,6-diamine apigenin (1XAN); 3′,6- diamine apigenin (2BEL); 3′-amine apigenin (2C9V); 3′-amine apigenin (4K7O) and dan 3′6-dipropyl apigenin (5M2F). The results obtained showed that there are apigenin derived compounds that are selective against receptors used. © 2019 World Research Association. All rights reserved. 
Antioxidant; Apigenin; Derivative compound; Molecular docking