Synthesis, Characterization, Antimicrobial Evaluation, and Computational Investigation of Substituted Imidazo[2,1-b][1,3,4]Thiadiazole Derivatives

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dc.authoridkarakurt, tuncay/0000-0001-6944-9883
dc.authoridTAHTACI, HAKAN/0000-0002-1557-6315
dc.contributor.authorDagli, Meltem
dc.contributor.authorEr, Mustafa
dc.contributor.authorKarakurt, Tuncay
dc.contributor.authorOnaran, Abdurrahman
dc.contributor.authorAlici, Hakan
dc.contributor.authorTahtaci, Hakan
dc.date.accessioned2024-09-29T15:50:51Z
dc.date.available2024-09-29T15:50:51Z
dc.date.issued2020
dc.departmentKarabük Üniversitesien_US
dc.description.abstractIn this study, a novel series of 2,6-disubstituted and 2,5,6-trisubstituted imidazo[2,1-b][1,3,4]thiadiazole derivatives were synthesized starting from 2-amino-1,3,4-thiadiazole derivatives. Structures of the synthesized compounds were characterized using various analysis techniques. Then, in vitro biological activity tests were carried out for all synthesized compounds and they were found to show moderate to good activity against all bacteria and fungi tested. Next, molecular docking simulations were performed to observe the inhibition effect of the synthesized compounds on the 3R9C receptor and support their biological activity results. Finally, the pharmacokinetic, ADME and toxicity properties of all compounds were examined using FAF-Drugs and ProTox webservers and it was concluded that they had acceptable toxicity and ADME properties.en_US
dc.description.sponsorshipKarabuk University [KBU-BAP-15/2-YL-018]en_US
dc.description.sponsorshipThe authors would like to thank the funding support from Karabuk University (KBU-BAP-15/2-YL-018).en_US
dc.identifier.doi10.1002/slct.202002821
dc.identifier.endpage11763en_US
dc.identifier.issn2365-6549
dc.identifier.issue38en_US
dc.identifier.scopus2-s2.0-85092576030en_US
dc.identifier.scopusqualityQ2en_US
dc.identifier.startpage11753en_US
dc.identifier.urihttps://doi.org/10.1002/slct.202002821
dc.identifier.urihttps://hdl.handle.net/20.500.14619/3750
dc.identifier.volume5en_US
dc.identifier.wosWOS:000577627200006en_US
dc.identifier.wosqualityQ3en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherWiley-V C H Verlag Gmbhen_US
dc.relation.ispartofChemistryselecten_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectAb initio calculationsen_US
dc.subjectADMEen_US
dc.subjectBiological activityen_US
dc.subjectImidazo[2en_US
dc.subject1-b][1en_US
dc.subject3en_US
dc.subject4]thiadiazoleen_US
dc.subjectMannich basesen_US
dc.titleSynthesis, Characterization, Antimicrobial Evaluation, and Computational Investigation of Substituted Imidazo[2,1-b][1,3,4]Thiadiazole Derivativesen_US
dc.typeArticleen_US

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