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In silico identification of 1,2,4-triazoles as potential Candida Albicans inhibitors using 3D-QSAR, molecular docking, molecular dynamics simulations, and ADMET profiling.
Bouamrane, Soukaina; Khaldan, Ayoub; Hajji, Halima; El-Mernissi, Reda; Alaqarbeh, Marwa; Alsakhen, Nada; Maghat, Hamid; Ajana, Mohammed Aziz; Sbai, Abdelouahid; Bouachrine, Mohammed; Lakhlifi, Tahar.
Afiliación
  • Bouamrane S; Molecular Chemistry and Natural Substances Laboratory, Faculty of Science, Moulay Ismail University of Meknes, Meknes, Morocco. s.bouamrane@edu.umi.ac.ma.
  • Khaldan A; Molecular Chemistry and Natural Substances Laboratory, Faculty of Science, Moulay Ismail University of Meknes, Meknes, Morocco.
  • Hajji H; Molecular Chemistry and Natural Substances Laboratory, Faculty of Science, Moulay Ismail University of Meknes, Meknes, Morocco.
  • El-Mernissi R; Molecular Chemistry and Natural Substances Laboratory, Faculty of Science, Moulay Ismail University of Meknes, Meknes, Morocco.
  • Alaqarbeh M; National Agricultural Research Center, Al-Baqa, 19381, Jordan.
  • Alsakhen N; Department of Chemistry, Faculty of Science, The Hashemite University, Zarqa, Jordan.
  • Maghat H; Molecular Chemistry and Natural Substances Laboratory, Faculty of Science, Moulay Ismail University of Meknes, Meknes, Morocco.
  • Ajana MA; Molecular Chemistry and Natural Substances Laboratory, Faculty of Science, Moulay Ismail University of Meknes, Meknes, Morocco.
  • Sbai A; Molecular Chemistry and Natural Substances Laboratory, Faculty of Science, Moulay Ismail University of Meknes, Meknes, Morocco.
  • Bouachrine M; Molecular Chemistry and Natural Substances Laboratory, Faculty of Science, Moulay Ismail University of Meknes, Meknes, Morocco.
  • Lakhlifi T; EST Khenifra, Sultan Moulay Sliman University, Benimellal, Morocco.
Mol Divers ; 27(5): 2111-2132, 2023 Oct.
Article en En | MEDLINE | ID: mdl-36239842
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Triazoles / Simulación de Dinámica Molecular Tipo de estudio: Diagnostic_studies Idioma: En Revista: Mol Divers Asunto de la revista: BIOLOGIA MOLECULAR Año: 2023 Tipo del documento: Article País de afiliación: Marruecos Pais de publicación: Países Bajos
Texto completo
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Triazoles / Simulación de Dinámica Molecular Tipo de estudio: Diagnostic_studies Idioma: En Revista: Mol Divers Asunto de la revista: BIOLOGIA MOLECULAR Año: 2023 Tipo del documento: Article País de afiliación: Marruecos Pais de publicación: Países Bajos