Abstract
Ten new thiourea derivatives 1-10 were prepared in this work using a two-step
process that involved reacting 4-methoxybenzoyl chloride with KSCN to afford 4-
methoxybenzoyl isothiocyanate. This was followed by reaction with various amines
(primary amines, secondary amines, and diamines) to give the aforementioned title
products 1-10. These products were characterized by FT-IR, 1H NMR and 13C NMR
spectroscopy. Using the DPPH scavenging method, the antioxidant activity of
thiourea products was investigated, and derivative 8 had the greatest antioxidant
activity in comparison to the other derivatives. Moreover, molecular docking for all
compounds was studied using Autodock (4.2.6) software and Bacillus pasteurii
urease (pdb id: 4ubp) as a target protein. The best inhibitor activity and docking
scores are displayed by compound 7, followed by compounds 5 and 6, which
highlight the importance of compounds having two thiourea moieties for higher
inhibition activity.
process that involved reacting 4-methoxybenzoyl chloride with KSCN to afford 4-
methoxybenzoyl isothiocyanate. This was followed by reaction with various amines
(primary amines, secondary amines, and diamines) to give the aforementioned title
products 1-10. These products were characterized by FT-IR, 1H NMR and 13C NMR
spectroscopy. Using the DPPH scavenging method, the antioxidant activity of
thiourea products was investigated, and derivative 8 had the greatest antioxidant
activity in comparison to the other derivatives. Moreover, molecular docking for all
compounds was studied using Autodock (4.2.6) software and Bacillus pasteurii
urease (pdb id: 4ubp) as a target protein. The best inhibitor activity and docking
scores are displayed by compound 7, followed by compounds 5 and 6, which
highlight the importance of compounds having two thiourea moieties for higher
inhibition activity.
Keywords
4-methoxybenzoyl chloride
4ubp
antioxidants
Molecular Docking
Thiourea derivatives
Urease