In Silico and In Vitro Antiproliferative Activity Assessment of New Schiff Bases


Kökbudak Z. , Akkoç S., Karata H. , Tüzün B., Aslan G.

ChemistrySelect, vol.7, no.3, 2022 (Journal Indexed in SCI Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 7 Issue: 3
  • Publication Date: 2022
  • Doi Number: 10.1002/slct.202103679
  • Title of Journal : ChemistrySelect
  • Keywords: Cancer, Cytotoxicity, Molecular docking, Pyrimidine, Schiff base, PYRIMIDINE, DERIVATIVES, SOLUBILITY, COMPLEXES

Abstract

© 2022 Wiley-VCH GmbHIn this study, a series of new Schiff bases, based on a pyrimidine core, were synthesized in two steps. The structures of these newly synthesized Schiff bases were completely characterized. The presence of characteristic -N=CH proton peaks proving the formation of imine supports the structures of the compounds. The cytotoxic activity studies were done towards human cancer cell lines. The results show that the related molecules had antiproliferative activity on cancerous cells. To compare the chemical and biological activities of pyrimidine derivatives were performed using Gaussian software and Maestro Molecular modeling platform by Schrödinger, respectively. Afterwards, ADME/T analysis was performed to examine the possibility of pyrimidine derivatives being drugs.