Journal
JOURNAL OF MOLECULAR STRUCTURE
Volume 1145, Issue -, Pages 160-169Publisher
ELSEVIER
DOI: 10.1016/j.molstruc.2017.05.054
Keywords
Thiosemicarbazones; Crystal structures; Antioxidant; Antiinflammatory; Molecular docking
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Funding
- University Grants Commission, Government of India [F1-17.1/2012-13/RGNF-2012-13-ST-AND-18716]
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A series of 5-methoxysalicylaldehyde appended thiosemicarbazones (1-4) and 2-hydroxy-1-naphthaldehyde appended thiosemicarbazones (5-8) was obtained from the reactions between 5methoxysalicylaldehyde/2-hydroxy-1-naphthaldehyde and (un)substituted thiosemicarbazides with the view to ascertain their biological properties brought about by the change in substitution at N-terminal position of the thiosemicarbazide derivatives. The compounds were fully characterized by elemental analyses, and various spectroscopic techniques (UV-Visible, FT-IR, NMR and mass). The solidstate structure of three compounds (1, 2 and 7) was determined by single crystal X-ray diffraction method. The compounds (1, 2 and 7) have adopted a monoclinic crystal system with P2(1)/c (1 and 2) or C2I c (7) space group. Antioxidant and non-haemolysis activities of the compounds (1-8) were analyzed by in vitro DPPH and haemolysis assays, respectively. Antiinflammatory potential was verified by in vitro PLA2 inhibition assay and in silico molecular docking study. In vitro and in silico studies revealed promising antiinflammatory potential of the thiosemicarbazone derivatives. Compounds 2, 4, 6, 7 and 8 showed significant antiinflammatory activity. (C) 2017 Elsevier B.V. All rights reserved.
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