The Synthesis and Theoretical Anti-Tumor Studies of Some New Monoaza-10H-Phenothiazine and 10H-Phenoxazine Heterocycles

Abstract

The synthesis and anticancer activity of a series of new 3-amido derivatives of 3-chloro-10Hpyrido[3,2-b][1,4]benzoxazine and 3-chloro-10H-pyrido [3,2-b][1,4]benzothiazine is presented. The synthesized structures were characterized by UV-visible, FT-IR, 1 H NMR spectroscopy and elemental analytical data. The in silico physicochemical properties disclosed that neither 3-chloro-10H-pyrido[3,2-b][1,4]benzoxazine and 3-chloro-10H-pyrido[3,2-b][1,4]benzothiazine intermediates nor their carboxyamido derivatives violate Lipinski's rule of five. In addition, molecular docking studies showed that they exhibited good interaction with cancer receptors. 1,3-di-10H-Pyrido[3,2-b][1,4]benzothiazin-3-ylurea which showed a significant interaction with all the employed receptors possessed the highest anticancer activity.

Synthesis, Antimicrobial and Computational Studies of New Branched Azaphenothiazinones Derivatives

“…In addition to the main neuroleptic action of phenothiazine family, their antitumor activities are profusely reported. [11][12][13][14] The increasing reports of bac-terial and fungal resistance against currently available antibiotics have necessitated the continued search for novel drug candidates amongst the phenothiazine and phenoxazines. [15][16] One of the usual methods of obtaining benzo[a]phenothiazine parent molecule is by anhydrous base-catalyzed coupling of 2,3-dichloro-1,4-naphthoquinone with aminothiophenol.…”