Synthesis, Crystal Structure, Hirshfeld Surface Analysis, DFT, and DNA-Binding Studies of (E)-2-(3-Hydroxy-4-Methoxybenzylidene)Hydrazinecarbothioamide


Channar P. A. , Arshad N., Farooqi S. I. , Larik F. A. , Saeed A., HÖKELEK T. , ...Daha Fazla

APPLIED BIOCHEMISTRY AND BIOTECHNOLOGY, cilt.189, ss.175-192, 2019 (SCI İndekslerine Giren Dergi) identifier identifier identifier

  • Cilt numarası: 189 Konu: 1
  • Basım Tarihi: 2019
  • Doi Numarası: 10.1007/s12010-019-03008-y
  • Dergi Adı: APPLIED BIOCHEMISTRY AND BIOTECHNOLOGY
  • Sayfa Sayıları: ss.175-192

Özet

(E)-2-(3-Hydroxy-4-methoxybenzylidene)hydrazinecarbothioamide 3 was synthesized by reacting thiosemicarbazide with 2-hydorxy-3-methoxybenzaldehyde in dry ethanol. The structure was elucidated by spectroscopic (FT-IR, H-1 NMR, and C-13 NMR) and single crystal X-ray diffraction techniques. A detailed analysis of the intermolecular interactions has been performed based on the Hirshfeld surfaces and their associated two-dimensional fingerprint plots. DFT, spectroscopic, and electrochemical DNA-binding analysis confirmed that the compound is reactive to bind with DNA. Viscometric studies suggested that compound 3 has a mixed mode of interaction and intercalated into the DNA base pairs predominantly along with the possibility of electrostatic interactions.