Synthesis, biological and theoretical properties of crystal zinc complex with thiosemicarbazone of glyoxylic acid

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dc.authoridTaslimi, Parham/0000-0002-3171-0633
dc.authoridOzdemir, Mucahit/0000-0002-0840-4953
dc.authoridFarzaliyev, Vagif/0009-0004-4301-475X
dc.authoridHuseynova, Mansura/0000-0002-1534-6819
dc.contributor.authorHuseynova, Mansura
dc.contributor.authorFarzaliyev, Vaqif
dc.contributor.authorMedjidov, Ajdar
dc.contributor.authorAliyeva, Mahizar
dc.contributor.authorOzdemir, Mucahit
dc.contributor.authorTaslimi, Parham
dc.contributor.authorZorlu, Yunus
dc.date.accessioned2025-03-23T19:39:23Z
dc.date.available2025-03-23T19:39:23Z
dc.date.issued2022
dc.departmentSinop Üniversitesi
dc.description.abstractA new zinc complex with thiosemicarbazone of glyoxylic acid (1) was synthesized with zinc acetate dihy-drate and thiosemicarbazone of glyoxylic acid and crystallized in water. The absolute crystal structure of the complex was defined using the single-crystal X-ray diffraction technique. It was seen in X-ray mea-surements that the complex crystallized in the triclinic system with the P-1 space group. The structure of 1 represents distorted octahedral geometry around the central zinc metal. Zn(II) complex with thiosemi-carbazone of glyoxylic acid was an inhibitor of acetylcholinesterase (AChE), butyrylcholinesterase (BChE), human carbonic anhydrase I and II isoforms (hCA I and II) receptors and the inhibitor constant (Ki) values of the synthesized complex were 38.94 +/- 8.2 mu M for hCA I, 48.62 +/- 11.3 mu M for hCA II, 65.16 +/- 11.4 mu M for BChE and 82.04 +/- 16.0 mu M for AChE, respectively. The molecular docking method was used to show the complex-enzyme interactions. The pharmacokinetic properties of the complex were determined by ADME/Tox predictions and the results obtained showed that the complex could be a potential drug can-didate. (C) 2021 Elsevier B.V. All rights reserved.
dc.identifier.doi10.1016/j.molstruc.2021.131470
dc.identifier.issn0022-2860
dc.identifier.issn1872-8014
dc.identifier.scopus2-s2.0-85115022409
dc.identifier.scopusqualityQ1
dc.identifier.urihttps://doi.org/10.1016/j.molstruc.2021.131470
dc.identifier.urihttps://hdl.handle.net/11486/6336
dc.identifier.volume1248
dc.identifier.wosWOS:000709574500005
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherElsevier
dc.relation.ispartofJournal of Molecular Structure
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WOS_20250323
dc.subjectThiosemicarbazones
dc.subjectSynthesis
dc.subjectCrystal structure
dc.subjectEnzyme inhibition
dc.subjectTheoretical calculations
dc.titleSynthesis, biological and theoretical properties of crystal zinc complex with thiosemicarbazone of glyoxylic acid
dc.typeArticle

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