Basit öğe kaydını göster

dc.contributor.authorYILMAZ ÖZDEN, Tuğba
dc.contributor.authorHASBAL ÇELİKOK, Gözde
dc.contributor.authorUlusoy-Güzeldemirci, Nuray
dc.contributor.authorDİNCEL, Efe Doğukan
dc.date.accessioned2022-07-04T16:38:55Z
dc.date.available2022-07-04T16:38:55Z
dc.identifier.citationDİNCEL E. D. , HASBAL ÇELİKOK G., YILMAZ ÖZDEN T., Ulusoy-Güzeldemirci N., "Design, synthesis, biological evaluation, molecular docking, and dynamic simulation study of novel imidazo[2,1-b]thiazole derivatives as potent antioxidant agents", Journal of Molecular Structure, cilt.1258, 2022
dc.identifier.issn0022-2860
dc.identifier.othervv_1032021
dc.identifier.otherav_eff79c79-b17d-4d9c-baf3-9daa89b522fe
dc.identifier.urihttp://hdl.handle.net/20.500.12627/185303
dc.identifier.urihttps://doi.org/10.1016/j.molstruc.2022.132673
dc.identifier.urihttps://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85125460505&origin=inward
dc.description.abstract© 2022 Elsevier B.V.A series of novel hydrazinecarbothioamide and 1,2,4-triazole-3-thione derivatives of imidazo[2,1-b]thiazole were synthesized and evaluated for their antioxidant activity. The antioxidant activity of 23 newly synthesized compounds and 10 previously reported compounds bearing similar scaffolds, were evaluated by DPPH radical scavenging activity. 4i, 4j, 4k, and 4n displayed the highest antioxidant activity which was comparable with the reference compound Quercetin. In addition to the in vitro analysis, docking studies targeting the active site of Human peroxiredoxin 5 (PDB ID: 1HD2) were employed to explore the possible interactions of these compounds with the receptor. Moreover, molecular dynamic simulations were performed. Molecular dynamic simulations confirmed the stability of the title compounds with 1HD2. Consequently, the obtained results displayed that 4i, 4j, 4k, 4n present a leading structure for future drug development due to its straightforward synthesis and relevant bioactivity.
dc.language.isoeng
dc.subjectBiyoinorganik Kimya
dc.subjectFizikokimya
dc.subjectSpektroskopi
dc.subjectİnorganik Kimya
dc.subjectTemel Bilimler
dc.subjectAnalytical Chemistry
dc.subjectPhysical Sciences
dc.subjectSpectroscopy
dc.subjectOrganic Chemistry
dc.subjectInorganic Chemistry
dc.subjectAnalitik Kimya
dc.subjectBiyokimya
dc.subjectKİMYA, ORGANİK
dc.subjectSPEKTROSKOPİ
dc.subjectKİMYA, ANALİTİK
dc.subjectKİMYA, İNORGANİK VE NÜKLEER
dc.subjectKimya
dc.subjectTemel Bilimler (SCI)
dc.titleDesign, synthesis, biological evaluation, molecular docking, and dynamic simulation study of novel imidazo[2,1-b]thiazole derivatives as potent antioxidant agents
dc.typeMakale
dc.relation.journalJournal of Molecular Structure
dc.contributor.departmentİstanbul Üniversitesi , Eczacılık Fakültesi , Eczacılık Meslek Bilimleri Bölümü
dc.identifier.volume1258
dc.contributor.firstauthorID3423470


Bu öğenin dosyaları:

DosyalarBoyutBiçimGöster

Bu öğe ile ilişkili dosya yok.

Bu öğe aşağıdaki koleksiyon(lar)da görünmektedir.

Basit öğe kaydını göster