Приказ основних података о документу
Synthesis and analysis of 4-oxothiazolidines as potential dual inhibitors of deoxyribonuclease I and xanthine oxidase
dc.creator | Gajić, Mihajlo | |
dc.creator | Džambaski, Zdravko | |
dc.creator | Ilić, Budimir S. | |
dc.creator | Kocić, Gordana | |
dc.creator | Bondžić, Bojan | |
dc.creator | Šmelcerović, Andrija | |
dc.date.accessioned | 2021-06-25T13:58:49Z | |
dc.date.available | 2021-06-25T13:58:49Z | |
dc.date.issued | 2021 | |
dc.identifier.issn | 0009-2797 | |
dc.identifier.uri | https://cer.ihtm.bg.ac.rs/handle/123456789/4729 | |
dc.description.abstract | In this study, seven new 4-oxothiazolidine derivatives were synthesized and assayed, along 7 known derivatives, for inhibitory properties against deoxyribonuclease I (DNase I) and xanthine oxidase (XO) in vitro. Among tested compounds, (5Z)-Ethyl-2-(2-(cyanomethylene)-4-oxothiazolidin-5-yliden)acetate (6) exhibited inhibitory activity against both enzymes (DNase I IC50 = 67.94 ± 5.99 μM; XO IC50 = 98.98 ± 13.47 μM), therefore being the first reported dual inhibitor of DNase I and XO. Observed DNase I inhibition qualifies compound 6 as the most potent small organic DNase I inhibitor reported so far. Derivatives of 2-alkyliden-4-oxothiazolidinone (1) inhibited DNase I below 200 μM, while the other tested 4-oxothiazolidine derivatives remained inactive against both enzymes. The molecular docking and molecular dynamics simulations into the binding sites of DNase I and XO enzyme allowed us to clarify the binding modes of this 4-oxothiazolidine derivative, which might aid future development of dual DNase I and XO. | sr |
dc.language.iso | en | sr |
dc.publisher | Elsevier | sr |
dc.relation | info:eu-repo/grantAgreement/MESTD/inst-2020/200113/RS// | sr |
dc.relation | info:eu-repo/grantAgreement/MESTD/inst-2020/200026/RS// | sr |
dc.relation | Faculty of Medicine of the University of Niš (Internal project No. 40) | sr |
dc.rights | restrictedAccess | sr |
dc.source | Chemico-Biological Interactions | sr |
dc.subject | DNases | sr |
dc.subject | Oxidoreductases | sr |
dc.subject | Enzyme inhibition | sr |
dc.subject | Thiazolidinones | sr |
dc.subject | Molecular dynamics | sr |
dc.title | Synthesis and analysis of 4-oxothiazolidines as potential dual inhibitors of deoxyribonuclease I and xanthine oxidase | sr |
dc.type | article | sr |
dc.rights.license | ARR | sr |
dcterms.abstract | Шмелцеровић, Aндрија; Гајић, Михајло; Джамбаски, Здравко; Илић, Будимир С.; Коцић, Гордана; Бонджић, Бојан; | |
dc.citation.volume | 345 | |
dc.citation.spage | 109536 | |
dc.citation.rank | M21~ | |
dc.identifier.pmid | 34058176 | |
dc.identifier.doi | 10.1016/j.cbi.2021.109536 | |
dc.identifier.scopus | 2-s2.0-85108103742 | |
dc.identifier.wos | 000681131700007 | |
dc.type.version | publishedVersion | sr |