Synthesis and Bioinformatic Characterization of New Schiff Bases with Possible Applicability in Brain Disorders

Molecules. 2021 Jul 8;26(14):4160. doi: 10.3390/molecules26144160.

Abstract

(1) Background: The research aims to find new treatments for neurodegenerative diseases, in particular, Alzheimer's disease. (2) Methods: This article presents a bioinformatics and pathology study of new Schiff bases, (EZ)-N'-benzylidene-(2RS)-2-(6-chloro-9H-carbazol-2-yl)propanehydrazide derivatives, and aims to evaluate the drug-like, pharmacokinetic, pharmacodynamic and pharmacogenomic properties, as well as to predict the binding to therapeutic targets by applying bioinformatics, cheminformatics and computational pharmacological methods. (3) Results: We obtained these Schiff bases by condensing (2RS)-2-(6-chloro-9H-carbazol-2-yl)propanehydrazide with aromatic aldehydes, using the advantages of microwave irradiation. The newly synthesized compounds were characterized spectrally, using FT-IR and NMR spectroscopy, which confirmed their structure. Using bioinformatics tools, we noticed that all new compounds are drug-likeness features and may be proposed as potentially neuropsychiatric drugs (4) Conclusions: Using bioinformatics tools, we determined that the new compound 1e had a high potential to be used as a good candidate in neurodegenerative disorders treatment.

Keywords: Schiff bases; bioinformatics; carbazol derivatives; microwave synthesis; neuropsychiatric disorders.

MeSH terms

  • Aldehydes / chemistry
  • Anti-Bacterial Agents / pharmacology
  • Carbazoles / chemical synthesis
  • Carbazoles / chemistry*
  • Carbazoles / pharmacology
  • Cheminformatics / methods
  • Computational Biology / methods
  • Glucosamine / chemistry
  • Molecular Structure
  • Neurodegenerative Diseases / drug therapy
  • Schiff Bases / chemical synthesis*
  • Schiff Bases / chemistry*
  • Spectroscopy, Fourier Transform Infrared / methods

Substances

  • Aldehydes
  • Anti-Bacterial Agents
  • Carbazoles
  • Schiff Bases
  • carbazole
  • Glucosamine