Kabir, Md. Zahirul and Mohamad, Saharuddin and Omer, Noridayu and Choo, Yeun-Mun and Tayyab, Saad (2022) Computational view of beta-asarone-human serum albumin interaction. Biointerface Research in Applied Chemistry, 12 (4). 5296 – 5302. DOI https://doi.org/10.33263/BRIAC124.52965302.
Full text not available from this repository.Abstract
β-Asarone (BAS), a bioactive phytochemical from the medicinal herb, Acorus calamus Linn., has shown many pharmacological activities. Computational docking studies unveiled the interaction site of BAS onthe human plasma carrier, albumin. The primary binding arrangement of BAS was placed at Sudlow's Site I of HSA, which is pinpointed in subdomain IIA of albumin. Hydrophobic and van der Waals forces together with hydrogen bonds appear to secure the BAS-albumin complex. The BAS at Site I was surrounded by more hydrophobic and polar residues than those seen at Site II, as evidenced by LigPlot+. Therefore, the interaction between BAS and albumin at Site I seems to be comparatively more stable owing to more vital interactions. © 2021 by the authors.
| Item Type: | Article |
|---|---|
| Funders: | Universiti Malaya Frontier Research Grant (FRG) [Grant No: FG025-17AFR] |
| Uncontrolled Keywords: | β-asarone; Human serum albumin; Drug-albumin interaction; Computational docking; Cluster analysis |
| Subjects: | Q Science > QD Chemistry |
| Divisions: | Faculty of Science |
| Depositing User: | Ms. Juhaida Abd Rahim |
| Date Deposited: | 04 Oct 2023 02:10 |
| Last Modified: | 04 Oct 2023 02:10 |
| URI: | http://eprints.um.edu.my/id/eprint/43184 |
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