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Objective: Synthesized a series of new thiourea (TU) derivatives, tested their antioxidant activity,
and investigated their expected biological activity by theoretical study (computational methods). Methods: The
derivatives were made using a one-pot reaction with two steps. Initially, succinyl chloride was mixed with KSCN
to make succinyl isothiocyanate. Then, primary and secondary amines were used to make TU derivatives. The
theoretical studies were done by Swiss ADME and molecular docking via Genetic Optimization of Linkage Docking
(GOLD). Then evaluate antioxidant activity using the DPPH scavenging method. Results: FT-IR, 1H NMR,
and 13C NMR spectroscopy show the verification of all the prepared derivatives. Compounds (II), (VIII),
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