S-alkylated thiosemicarbazone derivatives: Synthesis, crystal structure determination, antimicrobial activity evaluation and molecular docking studies

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dc.authoridULKUSEVEN, BAHRI/0000-0001-6342-1505
dc.authoridGunduz, Miyase Gozde/0000-0002-2287-9509
dc.authoridKaya, Busra/0000-0003-2706-172X
dc.authoridMadhu Rekha, Estharla/0000-0002-0849-2666
dc.authoridOzkul Kocak, Ceren/0000-0002-0921-5863
dc.contributor.authorGunduz, Miyase Gozde
dc.contributor.authorKaya, Busra
dc.contributor.authorOzkul, Ceren
dc.contributor.authorSahin, Onur
dc.contributor.authorRekha, Estharla Madhu
dc.contributor.authorSriram, Dharmarajan
dc.contributor.authorUlkuseven, Bahri
dc.date.accessioned2025-03-23T19:39:24Z
dc.date.available2025-03-23T19:39:24Z
dc.date.issued2021
dc.departmentSinop Üniversitesi
dc.description.abstractIncreasing antimicrobial resistance is one of the most serious threats to human health worldwide. Therefore, there is an urgent need for the discovery of novel antimicrobial agents. Herein, we presented the synthesis of ten thiosemicarbazone derivatives (T1-T10) obtained by the reaction of S-alkylthiosemicarbazide with various dicarbonyl derivatives. The compounds were characterized by IR, H-1 NMR, ESI-MS and X-ray crystallography. Reaction with the dicarbonyl compound bearing the 4-fluorobenzoyl group unexpectedly gave a pyrazole derivative (T8) containing the entire S-methylthiosemicarbazone backbone. We extensively screened these derivatives for their antimicrobial activities against Mycobacterium tuberculosis and various bacterial and Candida strains. Additionally, the biofilm inhibition capacity of T8 was evaluated on Staphylococcus epidermidis and Pseudomonas aeruginosa biofilm positive strains. To find out the potential mechanism of anti-biofilm activity against PAO1, the docking studies of T8 were carried out into the binding site of LasR, which is the main regulator of bacterial cell-to-cell communication system known as quorum sensing. (C) 2021 Elsevier B.V. All rights reserved.
dc.identifier.doi10.1016/j.molstruc.2021.130674
dc.identifier.issn0022-2860
dc.identifier.issn1872-8014
dc.identifier.scopus2-s2.0-85108708033
dc.identifier.scopusqualityQ1
dc.identifier.urihttps://doi.org/10.1016/j.molstruc.2021.130674
dc.identifier.urihttps://hdl.handle.net/11486/6343
dc.identifier.volume1242
dc.identifier.wosWOS:000672726200015
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.subjectThiosemicarbazone
dc.subjectAntibacterial
dc.subjectAntifungal
dc.subjectTuberculosis
dc.subjectQuorum sensing
dc.subjectX-ray analysis
dc.titleS-alkylated thiosemicarbazone derivatives: Synthesis, crystal structure determination, antimicrobial activity evaluation and molecular docking studies
dc.typeArticle

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