Sanmugavelan, Ragaventhan and Teoh, Teow Chong and Roslan, Nurnadiah and Mohamed, Zulqarnain (2018) In vitro and in silico studies of chalcone synthase variant 2 in Boesenbergia rotunda and its substrate specificity. Turkish Journal of Biology, 42 (3). ISSN 1300-0152, DOI https://doi.org/10.3906/biy-1710-107.
Full text not available from this repository.Abstract
In this study, transformation of BrCHS var 2 into B. rotunda cell suspension culture, followed by chalcone synthase enzymatic assay and HPLC analysis was conducted to investigate whether the substrate specificity for BrCHS var 2 is either cinnamoyl-CoA or p-coumaroyl-CoA. The HPLC profile showed an increase in the amount of pinocembrin chalcone when cinnamoyl-CoA and malonyl-CoA were added but not p-coumaroyl-CoA. Molecular docking was performed to explore the binding of cinnamoyl-CoA and p-coumaroyl-CoA to BrCHS var 2 receptor and the docking results showed that cinnamoyl-CoA formed numerous hydrogen bonds and more negative docked energy than p-coumaroyl-CoA. Cinnamoyl-CoA showed good interactions with Cys 164 to initiate the subsequent formation of pinocembrin chalcone, whereas the hydroxyl group of p-coumaroyl-CoA formed an unfavorable interaction with Gln 161 that caused steric hindrance to subsequent formation of naringenin chalcone. Docked conformation analysis results also showed that malonyl-CoA formed hydrogen bonding with Cys 164, His 303, and Asn 336 residues in BrCHS var 2. The results show that cinnamoyl-CoA is the preferred substrate for BrCHS var 2.
| Item Type: | Article |
|---|---|
| Funders: | University of Malaya’s research grants RP032-15AFR and RP032C-15AFR |
| Uncontrolled Keywords: | Cell suspension culture; Chalcone synthase; Homology modelling; Molecular docking |
| Subjects: | Q Science > Q Science (General) Q Science > QH Natural history |
| Divisions: | Faculty of Science > Institute of Biological Sciences |
| Depositing User: | Ms. Juhaida Abd Rahim |
| Date Deposited: | 20 Mar 2019 04:24 |
| Last Modified: | 20 Mar 2019 04:25 |
| URI: | http://eprints.um.edu.my/id/eprint/20772 |
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