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

Authors

YASEMİN ÜNVER
DİLEK ÜNLÜER
ŞAHİN DİREKEL
SERDAR DURDAĞI

DOI

10.3906/kim-2004-78

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 (benzo[$b$]thiophene-2-yl) alkyl methanimine derivatives (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 QSAR-based 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 1(N, N'- (propane-1,3-diyl) bis (1-(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

First Page

1164

Last Page

1176

Recommended Citation

ÜNVER, YASEMİN; ÜNLÜER, DİLEK; DİREKEL, ŞAHİN; and DURDAĞI, SERDAR (2020) "Bis benzothiophene Schiff bases: synthesis and in silico-guided biological activity studies," Turkish Journal of Chemistry: Vol. 44: No. 4, Article 22. https://doi.org/10.3906/kim-2004-78
Available at: https://journals.tubitak.gov.tr/chem/vol44/iss4/22