| Item type |
デフォルトアイテムタイプ_（フル）(1) |
| 公開日 |
2023-03-18 |
| タイトル |
|
|
タイトル |
Sojagol from Mung Beans as A Potential Antagonist of Mineralocorticoid Receptor |
|
言語 |
en |
| 作成者 |
Kusumawati, Ratna
Sulastomo, Heru
Setyawan, Arifin Nur
Yudhani, Ratih Dewi
Muthmainah
Indarto, Dono
|
| アクセス権 |
|
|
アクセス権 |
open access |
|
アクセス権URI |
http://purl.org/coar/access_right/c_abf2 |
| 権利情報 |
|
|
権利情報 |
Copyright (c) 2018 Hiroshima University Medical Press |
| 主題 |
|
|
主題Scheme |
Other |
|
主題 |
Mineralocorticoid receptor |
| 主題 |
|
|
主題Scheme |
Other |
|
主題 |
Aldosterone antagonist |
| 主題 |
|
|
主題Scheme |
Other |
|
主題 |
Spironolactone |
| 主題 |
|
|
主題Scheme |
Other |
|
主題 |
Phytochemical |
| 主題 |
|
|
主題Scheme |
NDC |
|
主題 |
490 |
| 内容記述 |
|
|
内容記述 |
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. |
|
言語 |
en |
| 出版者 |
|
|
出版者 |
Hiroshima University Medical Press |
| 言語 |
|
|
言語 |
eng |
| 資源タイプ |
|
|
資源タイプ識別子 |
http://purl.org/coar/resource_type/c_6501 |
|
資源タイプ |
departmental bulletin paper |
| 出版タイプ |
|
|
出版タイプ |
VoR |
|
出版タイプResource |
http://purl.org/coar/version/c_970fb48d4fbd8a85 |
| 収録物識別子 |
|
|
収録物識別子タイプ |
ISSN |
|
収録物識別子 |
0018-2052 |
| 収録物識別子 |
|
|
収録物識別子タイプ |
NCID |
|
収録物識別子 |
AA00664312 |
| 開始ページ |
|
|
開始ページ |
185 |
| 書誌情報 |
Hiroshima Journal of Medical Sciences
Hiroshima Journal of Medical Sciences
巻 67,
p. 185-190,
発行日 2018-05
|
| 旧ID |
45864 |
HiroshimaJMedSci_67s_185.pdf (826.1 KB)
