1-(2-Chlorophenyl)-6,7-dimethoxy-3-methyl-3,4-dihydroisoquinoline

Abstract

This article concerns the synthesis and in silico evaluation of 1-(2-chlorophenyl)-6-7-dimethoxy-3-methyl-3,4-dihydrogioquinoline (DIQ). A variety of in silico simulations were applied to assess the potential biological activity and toxicity of the compound. Based on these analyses, the target molecule DIQ was chosen for the synthesis. DIQ was synthesized from starting 2-chloro-N-(1-(3,4-dimethoxyphenyl)propan-2-yl)benzamide applied in the Bischler–Napieralski reaction. The newly obtained 3,4-dihydroisoquinoline derivative was fully analyzed and characterized. Based on the in silico calculations, the target molecule was synthesized with respect to its contractile activity, which is a permanent interest of our studies. Thus, further investigation into the possible medicinal applications of this compound is warranted in the future.

Molecular docking of secondary metabolites of marine macroalgae Sargassum vulgare against exotoxin A

“…To be effective as a drug, a potent molecule must reach its target in the body in adequate concentration, and stay there in a bioactive form long enough for the expected biological events to occur (Daina et al, 2017, Milusheva et al, 2023. The following rules were suggested by Lipinski for determining the solubility and permeability of a compound to be veri ed as a candidate drug molecule: (1) (Veber et al, 2002).…”