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Synthesis of phenylthiourea-based pyrazole, thiazole and/or pyran compounds: molecular modeling and biological activity

The significant biological activity of phenylthiourea derivatives prompted the synthesis of a new phenylthiourea-based heterocyclic ring systems (pyrazole, thiazole, and pyran), and their chemical structures were elucidated by spectral data. The DFT/B3LYP methodology was applied to explore the confi...

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Principais autores: Ahmad Fawzi Qarah, Kahdr Alatawi, Adel I. Alalawy, Rua B. Alnoman, Alaa M. Alqahtani, Matokah M. Abualnaja, Wael M. Alamoudi, Nashwa M. El-Metwaly
Formato: Artigo
Idioma:Inglês
Publicado em: Taylor & Francis Group 2023-12-01
coleção:Journal of Taibah University for Science
Assuntos:
4-aminoacetophenone
phenylthiourea-pyrazole
DFT/B3LYP methodology
cytotoxicity
docking
Acesso em linha:https://www.tandfonline.com/doi/10.1080/16583655.2023.2245200
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