Bis benzothiophene Schiff bases: synthesis and in silico-guided biological activity studies

Authors : Yasemin UNVER, Dilek UNLUER, Sahin DİREKEL, Serdar DURDAGİ

Pages : 1164-1176

View : 28 | Download : 9

Publication Date : 0000-00-00

Article Type : Research Paper

Abstract :Since benzo [b ] thiophene scaffold is one of the privileged structures in drug discovery as this core exhibitsactivities for different biological problems, in this study bis insert ignore into journalissuearticles values(benzo[b ]thiophene-2-yl); alkyl methanimine derivatives insert ignore into journalissuearticles values(1-9); were synthesized by reacting benzo[b ]thiophene-2-carbaldehyde with diamines. All newly compounds were characterized by IR, 1 H NMR and 13 C NMR spectroscopic methods. Synthesized compounds were investigated using binary QSARbased models on therapeutic activity prediction of synthesized compounds and they showed high predicted activities in following diseases: bacterial, angina, allergy, depression and obesity. Thus, they were then tested for their antimicrobial and antileishmanial activities as a result of this theoretical study. Compound 1insert ignore into journalissuearticles values(N, N’- insert ignore into journalissuearticles values(propane-1,3-diyl); bis insert ignore into journalissuearticles values(1-insert ignore into journalissuearticles values(benzo [b ] thiophene-2-yl);); methanimine); was found the most active compound in both diseases. Thus, its molecular docking studies were also carried out.
Keywords : Benzo b thiophene, Schiff base, binary QSAR models, molecular docking, antimicrobial and antileishmanial activities