Sojagol from Mung Beans as A Potential Antagonist of Mineralocorticoid Receptor

Kusumawati Ratna

Sulastomo Heru

Setyawan Arifin Nur

Yudhani Ratih Dewi

Muthmainah

Indarto Dono

Hiroshima Journal of Medical Sciences

[PISSN] 0018-2052

[EISSN] 2433-7668

[NCID] AA00664312

This bio-computational study aimed to explore phytochemicals derived from Indonesian plants which inhibited the mineralocorticoid receptor (MR) for cardiovascular diseases treatment. A total of 516 phytochemicals was used in this study which was derived from the HerbalDB database and screened with Lipinski Rule of Five. Three dimensional structure of MR was obtained from a protein data bank (access code 3VHU) and the structure of aldosterone antagonists (spironolactone and eplerenone) as standard ligand was obtained from the ZINC database (ZINC03977913 and ZINC72187491) respectively. MR-standar ligand binding complexes were validated using AutoDock Vina 1.1.2 software three times. Interaction between MR and phytochemicals was molecularly dock with the same software and visualized using Chimera 1.9 software. Spironolactone had -9.5 kcal/mol docking score and MR binding site at Gln776, Arg817, and Cys942. Whereas -9.7 kcal/mol docking score was observed in eplerenone and it had binding site at Arg817 and Thr945. There were six phytochemicals with lower binding score againts MR than the standards but only Sojagol interacted with MR at Gln776 and Arg817 residues. More over, Sojagol had a lower molecular size (336.338 Da) compared with the standards and was commonly found in mung beans. In conclusion, Sojagol might become in silico antagonist of aldosterone.

Mineralocorticoid receptor

Aldosterone antagonist

Spironolactone

Phytochemical

医学 [ 490 ]

英語

Hiroshima University Medical Press

Copyright (c) 2018 Hiroshima University Medical Press

[ISSN] 0018-2052

[NCID] AA00664312