Anti-atherosclerosis potential activity from Alphitobius diaperinus: a molecular docking study on NLRP3 receptor
This study aimed to analyze the potential activity anti-atherosclerosis of Alphitobius diaperinus larvae using molecular docking. The target receptor used was NLRP3, with β-sitosterol and campesterol as the test ligands, and simvastatin as the control ligand. The results showed that the binding aff...
Saved in:
| Main Authors: | , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Politeknik Negeri Jember
2025-02-01
|
| Series: | Jurnal Ilmu Peternakan Terapan |
| Subjects: | |
| Online Access: | https://publikasi.polije.ac.id/jipt/article/view/5814 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1823860950950739968 |
|---|---|
| author | Firdaus Hasibuan Erfan Andrianto Aritonang |
| author_facet | Firdaus Hasibuan Erfan Andrianto Aritonang |
| author_sort | Firdaus Hasibuan |
| collection | DOAJ |
| description |
This study aimed to analyze the potential activity anti-atherosclerosis of Alphitobius diaperinus larvae using molecular docking. The target receptor used was NLRP3, with β-sitosterol and campesterol as the test ligands, and simvastatin as the control ligand. The results showed that the binding affinity energies of β-sitosterol and campesterol were more negative than simvastatin, with values of -9.3, -9.3, and -8.6 kcal/mol, respectively. The inhibition constants of β-sitosterol and campesterol were lower than that of simvastatin, with values of 0.213, 0.213, and 0.494 μM, respectively. The percentage of binding site similarity with the native ligand for β-sitosterol and campesterol was 60%, while simvastatin showed 0%. Molecular probability analysis using Lipinski's rules revealed that simvastatin met all five criteria, whereas β-sitosterol and campesterol met four criteria. The LD50 analysis indicated that simvastatin fell under category III, while β-sitosterol and campesterol were in category I. All three molecules β-sitosterol, campesterol, and simvastatin were found to be non-carcinogenic. The conclusion of this study was β-sitosterol and campesterol from A. diaperinus larvae have potential as anti-atherosclerosis candidates.
|
| format | Article |
| id | doaj-art-42aaeb62756d451196ed4bfdbe303a11 |
| institution | Kabale University |
| issn | 2828-4348 2579-9479 |
| language | English |
| publishDate | 2025-02-01 |
| publisher | Politeknik Negeri Jember |
| record_format | Article |
| series | Jurnal Ilmu Peternakan Terapan |
| spelling | doaj-art-42aaeb62756d451196ed4bfdbe303a112025-02-10T07:33:32ZengPoliteknik Negeri JemberJurnal Ilmu Peternakan Terapan2828-43482579-94792025-02-018210.25047/jipt.v8i2.5814Anti-atherosclerosis potential activity from Alphitobius diaperinus: a molecular docking study on NLRP3 receptorFirdaus Hasibuan0Erfan Andrianto Aritonang1Universitas Islam Muhammad Arsyad Al- Banjari KalimantanUniversitas Islam Muhammad Arsyad Al- Banjari Kalimantan This study aimed to analyze the potential activity anti-atherosclerosis of Alphitobius diaperinus larvae using molecular docking. The target receptor used was NLRP3, with β-sitosterol and campesterol as the test ligands, and simvastatin as the control ligand. The results showed that the binding affinity energies of β-sitosterol and campesterol were more negative than simvastatin, with values of -9.3, -9.3, and -8.6 kcal/mol, respectively. The inhibition constants of β-sitosterol and campesterol were lower than that of simvastatin, with values of 0.213, 0.213, and 0.494 μM, respectively. The percentage of binding site similarity with the native ligand for β-sitosterol and campesterol was 60%, while simvastatin showed 0%. Molecular probability analysis using Lipinski's rules revealed that simvastatin met all five criteria, whereas β-sitosterol and campesterol met four criteria. The LD50 analysis indicated that simvastatin fell under category III, while β-sitosterol and campesterol were in category I. All three molecules β-sitosterol, campesterol, and simvastatin were found to be non-carcinogenic. The conclusion of this study was β-sitosterol and campesterol from A. diaperinus larvae have potential as anti-atherosclerosis candidates. https://publikasi.polije.ac.id/jipt/article/view/5814Alphitobius diaperinus larvaeAtherosclerosisMolecular docking |
| spellingShingle | Firdaus Hasibuan Erfan Andrianto Aritonang Anti-atherosclerosis potential activity from Alphitobius diaperinus: a molecular docking study on NLRP3 receptor Jurnal Ilmu Peternakan Terapan Alphitobius diaperinus larvae Atherosclerosis Molecular docking |
| title | Anti-atherosclerosis potential activity from Alphitobius diaperinus: a molecular docking study on NLRP3 receptor |
| title_full | Anti-atherosclerosis potential activity from Alphitobius diaperinus: a molecular docking study on NLRP3 receptor |
| title_fullStr | Anti-atherosclerosis potential activity from Alphitobius diaperinus: a molecular docking study on NLRP3 receptor |
| title_full_unstemmed | Anti-atherosclerosis potential activity from Alphitobius diaperinus: a molecular docking study on NLRP3 receptor |
| title_short | Anti-atherosclerosis potential activity from Alphitobius diaperinus: a molecular docking study on NLRP3 receptor |
| title_sort | anti atherosclerosis potential activity from alphitobius diaperinus a molecular docking study on nlrp3 receptor |
| topic | Alphitobius diaperinus larvae Atherosclerosis Molecular docking |
| url | https://publikasi.polije.ac.id/jipt/article/view/5814 |
| work_keys_str_mv | AT firdaushasibuan antiatherosclerosispotentialactivityfromalphitobiusdiaperinusamoleculardockingstudyonnlrp3receptor AT erfanandriantoaritonang antiatherosclerosispotentialactivityfromalphitobiusdiaperinusamoleculardockingstudyonnlrp3receptor |