Design, synthesis, anti-inflammatory evaluation, and molecular docking studies of novel quinazoline-4(3H)-one-2-carbothioamide derivatives.

ABSTRACT: In this paper, a series of novel quinazoline-4(3H)-one-2-carbothioamide derivatives (8a-p) were designed and synthesized via the Wilgerodt-Kindler reaction between 2-methylquinazoline-4-one 10 and amines using S₈/DMSO as the oxidizing system. Their characteristics were confirmed by IR, NMR, HRMS spectra, and their melting point. These novel derivatives (8a-p) were evaluated for their anti-inflammatory activity by inhibiting NO production in lipopolysaccharide (LPS)-activated RAW 264.7 macrophage cells. Compounds 8d (IC₅₀ = 2.99 μM), 8g (IC₅₀ = 3.27 μM), and 8k (IC₅₀ = 1.12 μM) exhibited potent inhibition of NO production compared to the standard drug dexamethasone (IC₅₀ = 14.20 μM). Compound 8a (IC₅₀ = 13.44 μM

SUBMITTER: Nguyen LTH 

PROVIDER: S-EPMC11774271 | biostudies-literature | 2025 Jan

REPOSITORIES: biostudies-literature