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dc.contributor.authorCem, Yamali
dc.contributor.authorHalise Inci, Gul
dc.contributor.authorAbdulilah, Ece
dc.contributor.authorTaslimi, Parham
dc.contributor.authorIlhami, Gulcin
dc.date.accessioned2019-05-07T13:08:47Z
dc.date.available2019-05-07T13:08:47Z
dc.date.issued2018-04
dc.identifier.urihttp://hdl.handle.net/11772/1172
dc.description.abstractIn this study, 4-[5-aryl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl] benzenesulfonamides were synthesized, and inhibition effects on AChE, hCA I, and hCA II were evaluated. K-i values of the compounds toward hCA I were in the range of 24.2 +/- 4.6-49.8 +/- 12.8nm, while they were in the range of 37.3 +/- 9.0-65.3 +/- 16.7nm toward hCA II. K-i values of the acetazolamide were 282.1 +/- 19.7nm and 103.60 +/- 27.6nm toward both isoenzymes, respectively. The compounds inhibited AChE with K-i in the range of 22.7 +/- 10.3-109.1 +/- 27.0nm, whereas the tacrine had K-i value of 66.5 +/- 13.8nm. Electronic structure calculations at M06-L/6-31+G(d,p)//AM1 level and molecular docking studies were also performed to enlighten inhibition mechanism and to support experimental findings. Results obtained from calculations of molecular properties showed that the compounds obey drug-likeness properties. The experimental and computational findings obtained in this study might be useful in the design of novel inhibitors against hCA I, hCA II, and AChE.en_US
dc.language.isoengen_US
dc.publisherWileyen_US
dc.rightsinfo:eu-repo/semantics/restrictedAccessen_US
dc.subjectAcetylcholinesteraseen_US
dc.subjectCarbonic anhydraseen_US
dc.subjectDockingen_US
dc.subjectModelingen_US
dc.subjectPyrazolineen_US
dc.subjectSulfonamideen_US
dc.titleSynthesis, molecular modeling, and biological evaluation of 4-[5-aryl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl] benzenesulfonamides toward acetylcholinesterase, carbonic anhydrase I and II enzymesen_US
dc.typearticleen_US
dc.relation.journalChemical Biology & Drug Designen_US
dc.contributor.departmentBartın Üniversitesi, Fen Fakültesi, Biyoteknoloji Bölümüen_US
dc.identifier.volume91en_US
dc.identifier.issue4en_US
dc.identifier.startpage854en_US
dc.identifier.endpage866en_US


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