Synthesis, characterization, biological activities, and computational studies of pyrazolyl-thiazole derivatives of thiophene.

Autor:	Bhagwat SK; Department of Chemistry, Research Centre HPT Arts and RYK Science College (Affiliated to S. P. Pune University) Nashik 422005 Maharashtra India., Pawar TJ; Red de Estudios Moleculares Avanzados, Campus III, Instituto de Ecología, A. C. Carretera Antigua a Coatepec 351 91073 Xalapa Veracruz Mexico., Kulkarni SA; Department of Chemistry, Research Centre HPT Arts and RYK Science College (Affiliated to S. P. Pune University) Nashik 422005 Maharashtra India., Patil AA; Department of Chemistry, Research Centre HPT Arts and RYK Science College (Affiliated to S. P. Pune University) Nashik 422005 Maharashtra India., More RA; Department of Microbiology, Dayanand Science College Latur 413512 Maharashtra India., Jimenez-Halla JOC; Departamento de Química, División de Ciencias Naturales y Exactas, Universidad de Guanajuato Noria Alta S/N 36050 Guanajuato Mexico., Alvarado-Salazar JA; Carrera de Química-Farmacéutico-Biológica, Facultad de Estudios Superiores Zaragoza, UNAM 09230 Ciudad de México Mexico., Olivares-Romero JL; Red de Estudios Moleculares Avanzados, Campus III, Instituto de Ecología, A. C. Carretera Antigua a Coatepec 351 91073 Xalapa Veracruz Mexico., Muteeb G; Department of Nursing, College of Applied Medical Sciences, King Faisal University Al-Ahsa Saudi Arabia., Delgado-Alvarado E; Micro and Nanotechnology Research Center, Universidad Veracruzana Blvd. Av. Ruiz Cortines No. 455 Fracc. Costa Verde Boca del Río Veracruz 94294 Mexico., Patil SV; Department of Chemistry, Research Centre HPT Arts and RYK Science College (Affiliated to S. P. Pune University) Nashik 422005 Maharashtra India.
Jazyk:	angličtina
Zdroj:	RSC advances [RSC Adv] 2024 Dec 10; Vol. 14 (52), pp. 39004-39016. Date of Electronic Publication: 2024 Dec 10 (Print Publication: 2024).
DOI:	10.1039/d4ra06228k
Abstrakt:	This study reports the synthesis, characterization, and biological evaluation of a series of pyrazolyl-thiazole derivatives of thiophene. Seven compounds were synthesized and characterized using NMR spectroscopy and mass spectrometry. The antimicrobial activities of these derivatives were evaluated against various bacterial ( Escherichia coli , Bacillus subtilis , Bacillus megaterium , Staphylococcus aureus ) and fungal strains ( Aspergillus niger , Aspergillus oryzae , Rhizopus , Candida albicans ), demonstrating significant inhibition zones and low minimum inhibitory concentrations (MIC). In addition, the compounds exhibited notable antioxidant activities in DPPH and hydroxyl radical scavenging assays. Computational studies, including density functional theory (DFT) calculations and molecular docking simulations, were performed to understand the electronic properties and binding interactions of the synthesized compounds with biological targets. The molecular docking results supported the experimental findings, highlighting the potential of these pyrazolyl-thiazole derivatives as multifunctional therapeutic agents with both antimicrobial and antioxidant properties. Competing Interests: There are no conflicts to declare. (This journal is © The Royal Society of Chemistry.)
Databáze:	MEDLINE
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