QSAR studies of some new synthesized diacylhydrazine compounds derived from indomethacin as caspase-1 inhibitors
Other Title(s)
دراسة QSAR لعدد من مركبات ثنائي الاسيل هيدرازين الجديدة المشتقة من الإندوميثاسين بوصفها مثبطات لـ Caspase-1
Joint Authors
al-Wahab, Haytham A. A.
Husayn, Hayfa Y.
al-Nuaymi, Kawthar H. Y.
Source
Issue
Vol. 27, Issue 1 (28 Feb. 2018), pp.43-51, 9 p.
Publisher
University of Mosul College of Science
Publication Date
2018-02-28
Country of Publication
Iraq
No. of Pages
9
Main Subjects
Abstract EN
Indomethacin (1) reacts with absolute ethanol in presence of conc.
sulphuric acid to form the ester (2).
This ester was converted into the hydrazide (3) by treatment with hydrazine hydrate.
The reaction of the hydrazide (3) with acid chlorides (of indomethacine, dichlofenac, mefenamic acid, aspirin and ibuprofen) in dry xylene afforded the N,N’-diacylhydrazine compounds (4-8).
A series of new 2,5-disubstituted-1,3,4-oxadiazoles (9-13) derived from indomethacin (1) was obtained by the dehydrative cyclization of the corresponding N,N’-diacylhydrazines(4-8), in presence of an excess of thionyl chloride.
The quantitative structure-activity relationship (QSAR) analysis of the synthesized compounds was also performed to compute the parameters that affect the biological activity (inhibitory activity IC50).
Docking analysis was also performed to predict the interactions between the synthesized compounds with Caspase-1 (Interleukin-1 converting enzyme).
The study is aimed to predict factor affecting the biological activity of the prepared compounds by employing the QSAR analysis.
The structures of the synthesized compounds were confirmed by the spectroscopic methods.
American Psychological Association (APA)
al-Nuaymi, Kawthar H. Y.& al-Wahab, Haytham A. A.& Husayn, Hayfa Y.. 2018. QSAR studies of some new synthesized diacylhydrazine compounds derived from indomethacin as caspase-1 inhibitors. Rafidain Journal of Science،Vol. 27, no. 1, pp.43-51.
https://search.emarefa.net/detail/BIM-834578
Modern Language Association (MLA)
al-Nuaymi, Kawthar H. Y.…[et al.]. QSAR studies of some new synthesized diacylhydrazine compounds derived from indomethacin as caspase-1 inhibitors. Rafidain Journal of Science Vol. 27, no. 1 (2018), pp.43-51.
https://search.emarefa.net/detail/BIM-834578
American Medical Association (AMA)
al-Nuaymi, Kawthar H. Y.& al-Wahab, Haytham A. A.& Husayn, Hayfa Y.. QSAR studies of some new synthesized diacylhydrazine compounds derived from indomethacin as caspase-1 inhibitors. Rafidain Journal of Science. 2018. Vol. 27, no. 1, pp.43-51.
https://search.emarefa.net/detail/BIM-834578
Data Type
Journal Articles
Language
English
Notes
Text in English ; abstracts in English and Arabic.
Record ID
BIM-834578