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

Channar, Pervaiz; Arshad, Nasima; Farooqi, Shahid; Larik, Fayaz; Saeed, Aamer; HÖKELEK, TUNCER; Shehzadi, Syeda; Abbas, Nasir; Floerke, Ulrich

doi:10.1007/s12010-019-03008-y

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, sa.1, ss.175-192, 2019 (SCI-Expanded, Scopus)

Yayın Türü: Makale / Tam Makale
Cilt numarası: 189 Sayı: 1
Basım Tarihi: 2019
Doi Numarası: 10.1007/s12010-019-03008-y
Dergi Adı: APPLIED BIOCHEMISTRY AND BIOTECHNOLOGY
Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
Sayfa Sayıları: ss.175-192
Hacettepe Üniversitesi Adresli: Evet

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.