X-ray crystal structure, UV–Vis and NMR spectroscopic, and molecular docking studies of pyribencarb isomers
نویسندگان
چکیده
Abstract The crystal structures of the pyribencarb E and Z stereoisomers were determined using single-crystal X-ray crystallography. isomers confirmed a single data respectively by analysis, LC-UVD mass spectrometry, NMR spectroscopy. Pyribencarb crystallizes in triclinic P − 1 isomer monoclinic 2 / c, with showing comparable packing motifs. Moreover, molecular docking was carried out cytochrome bc , revealing binding energies ranges 24.9 to 17.6 21.6 14.7 kcal/mol for isomers, respectively. Through combined experimental theoretical approach, this study contributes our understanding pesticides. Graphical
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ژورنال
عنوان ژورنال: Applied Biological Chemistry
سال: 2023
ISSN: ['2468-0834', '2468-0842']
DOI: https://doi.org/10.1186/s13765-023-00770-w