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Synthesis, crystal structure, DFT, Hirshfeld surface analysis, energy framework, docking and molecular dynamic simulations of (E)-4-(4-methylbenzyl)-6-styrylpyridazin-3(2H)-one as anticancer agent.
El Kalai, Fouad; Çinar, Emine Berrin; Sert, Yusuf; Alhaji Isa, Mustafa; Lai, Chin-Hung; Buba, Fatimah; Dege, Necmi; Benchat, Noureddine; Karrouchi, Khalid.
Afiliación
  • El Kalai F; Laboratory of Applied Chemistry and Environment (LCAE), Department of Chemistry, Faculty of Sciences, Mohammed I University, Oujda, Morocco.
  • Çinar EB; Department of Physics, Faculty of Arts and Sciences, Ondokuz Mayis University, Samsun, Turkey.
  • Sert Y; Sorgun Vocational School, Science and Art Faculty-Department of Physics, Yozgat Bozok University, Yozgat, Turkey.
  • Alhaji Isa M; Department of Microbiology, Faculty of Sciences, University of Maiduguri, Maiduguri, Nigeria.
  • Lai CH; Department of Medical Applied Chemistry, Chung Shan Medical University, Taichung, Taiwan.
  • Buba F; Department of Medical Education, Chung Shan Medical University Hospital, Taichung, Taiwan.
  • Dege N; Department of Biochemistry, Faculty of Sciences, University of Maiduguri, Maiduguri, Nigeria.
  • Benchat N; Department of Physics, Faculty of Arts and Sciences, Ondokuz Mayis University, Samsun, Turkey.
  • Karrouchi K; Laboratory of Applied Chemistry and Environment (LCAE), Department of Chemistry, Faculty of Sciences, Mohammed I University, Oujda, Morocco.
J Biomol Struct Dyn ; 41(21): 11578-11597, 2023.
Article en En | MEDLINE | ID: mdl-36617972
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Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Asunto principal: Carcinoma de Pulmón de Células no Pequeñas / Neoplasias Pulmonares / Antineoplásicos Límite: Humans Idioma: En Revista: J Biomol Struct Dyn Año: 2023 Tipo del documento: Article País de afiliación: Marruecos
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Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Asunto principal: Carcinoma de Pulmón de Células no Pequeñas / Neoplasias Pulmonares / Antineoplásicos Límite: Humans Idioma: En Revista: J Biomol Struct Dyn Año: 2023 Tipo del documento: Article País de afiliación: Marruecos