Publication:
Synthesis, α-glucosidase inhibition, and molecular docking studies of novel N-substituted hydrazide derivatives of atranorin as antidiabetic agents
Synthesis, α-glucosidase inhibition, and molecular docking studies of novel N-substituted hydrazide derivatives of atranorin as antidiabetic agents
| datacite.subject.fos | oecd::Natural sciences | |
| dc.contributor.author | Thuc-Huy Duong | |
| dc.contributor.author | Asshaima Paramita Devi | |
| dc.contributor.author | Nguyen-Minh-An Tran | |
| dc.contributor.author | Hoang-Vinh-Truong Phan | |
| dc.contributor.author | Ngoc-Vinh Huynh | |
| dc.contributor.author | Jirapast Sichaem | |
| dc.contributor.author | Hoai-Duc Tran | |
| dc.contributor.author | Mahboob Alam | |
| dc.contributor.author | Thi-Phuong Nguyen | |
| dc.contributor.author | Huu-Hung Nguyen | |
| dc.contributor.author | Warinthorn Chavasiri | |
| dc.contributor.author | Tien-Cong Nguyen | |
| dc.date.accessioned | 2022-11-09T11:26:39Z | |
| dc.date.available | 2022-11-09T11:26:39Z | |
| dc.date.issued | 2020 | |
| dc.description.abstract | A series of novel N-substituted hydrazide derivatives were synthesized by reacting atranorin, a compound with a natural depside structure (1), with a range of hydrazines. The natural product and 12 new analogues (2–13) were investigated for inhibition of α-glucosidase. The N-substituted hydrazide derivatives showed more potent inhibition than the original. The experimental results were confirmed by docking analysis. This study suggests that these compounds are promising molecules for diabetes therapy. Molecular dynamics simulations were carried out with compound 2 demonstrating the best docking model using Gromac during simulation up to 20 ns to explore the stability of the complex ligand-protein. Furthermore, the activity of all synthetic compounds 2–13 against a normal cell line HEK293, used for assessing their cytotoxicity, was evaluated. | |
| dc.identifier.doi | 10.1016/j.bmcl.2020.127359 | |
| dc.identifier.uri | http://repository.vlu.edu.vn:443/handle/123456789/1147 | |
| dc.language.iso | en_US | |
| dc.relation.ispartof | Bioorganic & Medicinal Chemistry Letters | |
| dc.relation.issn | 0960-894X | |
| dc.subject | Parmotrema tsavoense | |
| dc.subject | Atranorin | |
| dc.subject | N-substituted hydrazide derivatives | |
| dc.subject | α-Glucosidase inhibition | |
| dc.subject | Cytotoxicity | |
| dc.title | Synthesis, α-glucosidase inhibition, and molecular docking studies of novel N-substituted hydrazide derivatives of atranorin as antidiabetic agents | |
| dc.type | journal-article | |
| dspace.entity.type | Publication | |
| oaire.citation.issue | 17 | |
| oaire.citation.volume | 30 |