Synthesis, structure elucidation, biological activity, enzyme inhibition and molecular docking studies of new Schiff bases based on 5-nitroisatin-thiocarbohydrazone

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dc.authoridMuglu, Halit/0000-0001-8306-2378
dc.authoridVeyisoglu, Aysel/0000-0002-1406-5513
dc.authoridYAKAN, HASAN/0000-0002-4428-4696
dc.authoridOmer, Hiba Hassan Sulieman/0000-0002-7112-8912
dc.authoridCAKMAK, Sukriye/0000-0002-2221-0098
dc.authoridKutuk, Halil/0000-0002-8135-7874
dc.contributor.authorYakan, Hasan
dc.contributor.authorOmer, Hiba-H. S.
dc.contributor.authorBuruk, Osman
dc.contributor.authorCakmak, Sukriye
dc.contributor.authorMarah, Sarmad
dc.contributor.authorVeyisoglu, Aysel
dc.contributor.authorMuglu, Halit
dc.date.accessioned2025-03-23T19:39:20Z
dc.date.available2025-03-23T19:39:20Z
dc.date.issued2023
dc.departmentSinop Üniversitesi
dc.description.abstractNew Schiff bases bearing 5-nitroisatin-thiocarbohydrazone ( 1-9 ) have been prepared. The chemical structures of these compounds have been clarified by spectroscopic methods (IR, 1 H NMR, and 13 C NMR), and elemental analysis. Besides, they have been tested for antimicrobial activity. The antimicrobial activities of the novel compounds have been evaluated using a twofold serial dilution method for Minimum Inhibitory Concentration (MIC) against three gram-positive bacteria, three gram-negative bacteria, and two fungal pathogens. The obtained data showed that compound 7 has excellent activity against gram-strain positive and gram-strain-negative bacteria. Compound 7 showed better activity than amoxicillin, which is one of the standard drugs used against the E. faecalis pathogen, but showed the same activity as tetracycline. Synthesized compounds could be formed the basis for the development of better antibacterial agents. The total antioxidant activity of compounds 3 and 5 showed better antioxidant activity than standard BHT, while compounds 4, 8, 7, 2 , and 6 showed better antioxidant activity than standard Trolox. The urease inhibitory effect of compound 7 was better than thiourea. Also, the structure-activity relationship study showed that the scores of molecular models revealed that the compounds with the highest number of binding with urease enzyme were compounds 3 and 7 with total bond numbers of 19 and 18, respectively.(c) 2022 Elsevier B.V. All rights reserved.
dc.description.sponsorshipOMU-BAP [PYO.FEN.1904.20.003, PYO.FEN.1901.20.001]
dc.description.sponsorshipWe would like to thank OMU-BAP with the projects numbered PYO.FEN.1904.20.003 and PYO.FEN.1901.20.001 for support.
dc.identifier.doi10.1016/j.molstruc.2022.134799
dc.identifier.issn0022-2860
dc.identifier.issn1872-8014
dc.identifier.scopus2-s2.0-85144632497
dc.identifier.scopusqualityQ1
dc.identifier.urihttps://doi.org/10.1016/j.molstruc.2022.134799
dc.identifier.urihttps://hdl.handle.net/11486/6323
dc.identifier.volume1277
dc.identifier.wosWOS:000913920500001
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.subjectSchiff bases
dc.subjectSpectroscopic studies
dc.subjectAntimicrobial activity
dc.subjectAntioxidant activity
dc.subjectEnzyme inhibitor
dc.subjectMolecular docking
dc.titleSynthesis, structure elucidation, biological activity, enzyme inhibition and molecular docking studies of new Schiff bases based on 5-nitroisatin-thiocarbohydrazone
dc.typeArticle

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