Publication:
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
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