Chalcone-based novel mono and bisthiocarbohydrazone: synthesis, crystal structure, antioxidant property and theoretical evaluation

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dc.contributor.authorLafta, Ahmed Zaki
dc.contributor.authorKaya, Yeliz
dc.contributor.authorErcag, Ayse
dc.contributor.authorZorlu, Yunus
dc.contributor.authorKaya, Savas
dc.contributor.authorBerisha, Avni
dc.date.accessioned2024-10-26T18:09:39Z
dc.date.available2024-10-26T18:09:39Z
dc.date.issued2024
dc.departmentSivas Cumhuriyet Üniversitesi
dc.description.abstractThis study describes the synthesis of novel chalconethiocarbohydrazones derived from 2 '-hydroxychalcone and thiocarbohydrazide as potential drugs. The monothiocarbohydrazone (M1) and bisthiocarbohydrazone (M2) compounds were obtained by condensing thiocarbohydrazide with 2 '-hydroxychalcone [1-(2-hydroxyphenyl)-3-phenyl-2-propen-1-one] at 1/1 and 1/2 mol ratios. The synthesized compounds were characterized by elemental analysis, 1H NMR, FT-IR and UV-Vis spectroscopic techniques. The crystal structures of M1 and M2 were solved using single crystal X-ray diffraction method. The total antioxidant capacities of synthesized thiocarbohydrazones were determined by Cupric Reducing Antioxidant Capacity (CUPRAC) method. It was investigated also the radical scavenging activities of these compounds with 2,2-Diphenyl-1-picrylhydrazyl (DPPH) method. When compared to standard compound Trolox, both of the compounds showed good antioxidant activity. For the new compounds, Conceptual Density Functional Theory (CDFT) computations were performed to compute important quantum chemical reactivity descriptors. The chemical reactivities of the studied chemical systems were compared via well-known electronic structure rules of CDFT. Experimentally determined antioxidant activities of the synthesized compounds were supported with Molecular Docking analyses.
dc.description.sponsorshipScientific Research Projects Coordination Unit of Istanbul University-Cerrahpascedil;a [FDK-2023-36929]
dc.description.sponsorshipThis work was supported by the Scientific Research Projects Coordination Unit of Istanbul University-Cerrahpa & scedil;a [Grant Number: FDK-2023-36929].
dc.identifier.doi10.1080/17415993.2024.2324882
dc.identifier.endpage363
dc.identifier.issn1741-5993
dc.identifier.issn1741-6000
dc.identifier.issue3
dc.identifier.scopus2-s2.0-85187893465
dc.identifier.scopusqualityQ3
dc.identifier.startpage346
dc.identifier.urihttps://doi.org/10.1080/17415993.2024.2324882
dc.identifier.urihttps://hdl.handle.net/20.500.12418/30207
dc.identifier.volume45
dc.identifier.wosWOS:001179334800001
dc.identifier.wosqualityN/A
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherTaylor & Francis Ltd
dc.relation.ispartofJournal of Sulfur Chemistry
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.subject2 '-hydroxychalcone
dc.subjectthiocarbohydrazone
dc.subjectsynthesis
dc.subjectcrystal structure
dc.subjecttheoretical calculations
dc.titleChalcone-based novel mono and bisthiocarbohydrazone: synthesis, crystal structure, antioxidant property and theoretical evaluation
dc.typeArticle

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