Anticancer activity, DFT study, ADMET prediction, and molecular docking of novel α-sulfamidophosphonates.

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作者： Meriem,Guerfi ^[1] ; Malika,Berredjem ^[2] ; Ali,Dekir ^[1] ; Rania,Bahadi ^[1] ; Seif-Eddine,Djouad ^[3] ; Tan Ouk,Sothea ^[4] ; Rayenne,Redjemia ^[1] ; Billel,Belhani ^[1] ; Meriem,Boussaker ^[1]

作者单位： Chemistry Department, Laboratory of Applied Organic Chemistry, Synthesis of Biomolecules and Molecular Modelling Group, Sciences Faculty, Badji-Mokhtar Annaba University, Box 12, 23000, Annaba, Algeria. ^[1] Chemistry Department, Laboratory of Applied Organic Chemistry, Synthesis of Biomolecules and Molecular Modelling Group, Sciences Faculty, Badji-Mokhtar Annaba University, Box 12, 23000, Annaba, Algeria. mberredjem@yahoo.fr. ^[2] Chemistry Department, Laboratory of Applied Organic Chemistry, Synthesis of Biomolecules and Molecular Modelling Group, Sciences Faculty, Badji-Mokhtar Annaba University, Box 12, 23000, Annaba, Algeria.;Laboratory of Therapeutic Chemistry of Hospitalo-University Center Benflis Touhami, Batna, Algeria. ^[3] Laboratoire Peirene, EA7500 Université de Limoges, 123 Avenue Albert Thomas, 87000, Limoges Cedex, France. ^[4]

关键词 α-sulfamidophosphonates ADME analysis Anticancer activity DFT study Glutamate carboxypeptidase II inhibition Molecular docking

主题词人类(Humans);抗肿瘤药(Antineoplastic Agents);细胞系, 肿瘤(Cell Line, Tumor);谷氨酸羧肽酶Ⅱ(Glutamate Carboxypeptidase II);构效关系(Structure-Activity Relationship)

DOI 10.1007/s11030-023-10630-w

PMID 37010709

发布时间 2024-07-24

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