Synthesis, characterization, DFT analysis and docking studies of a novel Schiff base using 5-bromo salicylaldehyde and β-alanine.

ABSTRACT: Poly(ADP-ribose) polymerase-1(PARP-1) is a DNA-dependent enzyme, forming part of ADP-ribosyltransferase family. Although some PARP inhibitors find therapeutical applications in cancer therapy and exhibits crucial role in DNA damage response. Here a novel Schiff base, (E)-3-((5-bromo-2-hydroxybenzylidene) amino) propanoic acid was synthesized using 5-bromo salicylaldehyde and β-alanine. Characterization was carried out using IR, UV-Vis,¹H and ¹³C NMR and mass spectrum. Present study involves the evaluation of a novel Schiff base as an inhibitor against human breast cancer cell lines (pdb:3GEY) using 2-(dimethylamino)-N-(6-oxo-5,6-dihydrophenanthridin-2-yl) acetamide (DDA) as a native ligand. In silico study of 3GEY inhibitor is a variant of PARP-15, docking with two di

SUBMITTER: Meenukutty MS 

PROVIDER: S-EPMC9167979 | biostudies-literature | 2022 Jun

REPOSITORIES: biostudies-literature