02928nas a2200193 4500008004100000245013200041210006900173260000800242300001200250490000700262520224300269100001302512700001402525700001502539700001602554700001702570700001902587856012802606 2019 eng d00aDiscovery of a novel oxadiazine derivative of glucocorticoids endowed with DNA binding activities and molecular docking studies0 aDiscovery of a novel oxadiazine derivative of glucocorticoids en cAPR a536-5460 v133 a

A series of new glucocorticoid oxadiazines (4-6) were synthesized by reacting glucocorticoids (1-3) with thiosemicarbazide and its derivatives. The structural assignment of products is confirmed on the basis of IR, H-1 NMR, C-13 NMR, MS and analytical data. The synthesized compounds (4-6) obeyed the Lipinski's "Rule of Five" analysis based on a computational prediction of molecular and pharmacokinetic properties. The interaction studies of compounds (4-6) with DNA were carried out by employing single-cell gel electrophoresis (comet assay), UV-vis and fluorescence spectroscopy. Compounds (4-6) were found capable of cellular DNA degradation breakage in isolated normal human lymphocytes. Viscometric and steady-state measurements further correlated with the comet assay studies. Hence, it could be suggested that the glucocorticoid compounds bearing a core oxadiazine scaffold would be a potent biological agent. Molecular docking studies further characterize the interaction of the synthesized compounds with DNA.

1 aSultanat1 aAli, Abad1 aAsif, Mohd1 aRizvi, Asim1 aFarhan, Mohd1 aZaman, Shamsuz uhttps://library.ncl.res.in/content/discovery-novel-oxadiazine-derivative-glucocorticoids-endowed-dna-binding-activities-and