Efficient synthesis of N-(ethylcarbamothioyl)-1-naphthamide: X-ray structure, Hirshfeld surface analysis, DFTs, and molecular modelling investigations as selective inhibitor of alkaline phosphatase

Efficient synthesis of N-(ethylcarbamothioyl)-1-naphthamide: X-ray structure, Hirshfeld surface analysis, DFTs, and molecular modelling investigations as selective inhibitor of alkaline phosphatase

Abstract Naphthyl Thiourea based derivative N-(ethylcaramothbioyl)-1-naphthamide (NA-MT) was synthesized by freshly prepared 1-naphthoyl isothiocyanate with ethyl amine to afford the products (NA-MT) high purity and characterized via spectroscopic techniques including FTIR, 1H-NMR, 13C-NMR, elementa...

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Main Authors: Pervaiz Ali Channar, Mohammad Y. Alshahrani, Aamer Saeed, Syeda Abida Ejaz, Hafiz Muhammad Attaullah, Sajid Ali Channar, Sher Qadir, Qamar Abbas, Ulrich Flörke, Tuncer Hökelek
Format: Article
Language:English
Published: BMC 2025-07-01
Series:BMC Chemistry
Subjects:
Naphthoyl thioureas
Alkaline phosphatase
Molecular docking
Hirshfeld surface analysis
Molecular dynamic simulations
Online Access:https://doi.org/10.1186/s13065-025-01525-y
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