%0 Journal Article
%T Design, Synthesis, Computational Study, and Biological Evaluation of 6-Aryl Substituted Pyrimidine Schiff Bases?”,
%A Aziz Unnisa
%A Amr S Abouzied
%A B Anupama
%A Lakshmi K N V Chenchu
%A Ramadevi Kunduru
%A K S Kesavanarayanan
%J Pharmacophore
%@ 2229-5402
%D 2020
%V 11
%N 6
%P 74-103
%X Context: Schiff bases (SB) is class of molecules that possess a wide spectrum of biological activities.Aims: Thus, the present study focuses on the synthesis and characterization of novel Schiff bases, which have not previously been explored in the literature and to investigate the synthesized compounds for anti-inflammatory and antioxidant activities with no or fewer side effects. Settings and Design: A group of 6-aryl substituted pyrimidine Schiff bases were synthesized by condensation of 6-phenyl pyrimidine 2-amine with different aldehydes. The synthetic compounds were studied for their in-vitro anti-inflammatory and antioxidant activities. Methods and Material: The characterization of the synthesized candidates was performed using 1H NMR, 13C NMR, IR, and MS. Computational study of designed compounds was done by OCHEM, Molinspiration cheminformatics, Datawarrior, and Swiss ADMET. DPPH assay was used to determine antioxidant activity and heat hemolysis method for anti-inflammatory activity.Results: All the test compounds showed dose-dependent inhibition, compound 5a showed consistent antioxidant and anti-inflammatory activities. Computational studies predicted that none of the compounds can cross BBB, non-mutagenic, showed moderate activity against ion channel modulator, GPCR ligand, nuclear receptor, and enzymes. Conclusions: All the synthesized compounds, pyrimidine SB exhibited antioxidant and anti-inflammatory activities with less toxicity. Amongst the titled compounds, 5a and 5f were found to greatly influence the activity which may be due to the type of substituents present on the ring. The study carried out considered the three-dimensional nature of chemical structures that played an important part in ligand-receptor binding and assisted in providing an approach for further optimization of new leads.
%U https://pharmacophorejournal.com/article/design-synthesis-computational-study-and-biological-evaluation-of-6-aryl-substituted-pyrimidine-schiff-bases