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Molecular modeling design, synthesis and biological evaluation of new Imidazoline derivatives linked as A1-AR antagonists and ANG II receptor antagonists
Joint Authors
Ismail, Muhammad A. H.
Abu al-Ula, Dalal A. R.
Abu Zayd, Khalid A. M.
Lasheen, Dina S. M.
Source
Issue
Vol. 4, Issue 4 (31 Dec. 2009), pp.329-347, 19 p.
Publisher
Yarmouk University Deanship of Research and Graduate Studies
Publication Date
2009-12-31
Country of Publication
Jordan
No. of Pages
19
Main Subjects
Abstract EN
Two new series of 5-spiroalkyl-4-substituted-imidazoline derivatives connected to various4-arylpiperazinyl-oxoethyl (XIa-g) and tetrazolyl (or cyano)biphenylyl-methylthio moieties (XIIa-e) were designed, synthesized, and biologically evaluated for their in vivo hypotensive activities.
The design of compounds XIa-g was based upon the molecular modeling simulation fitting to the previously generated 3D α1-adrenoceptor (α1-AR) antagonist's hypothesis using CATALYST (Hip Hop) modules.
The simulation study revealed the high fitting affinities of these compounds to the α1-AR antagonist's hypothesis and compound XIg showed the highest fitting affinity.
The in vivo hypotensive activity of these compounds on normotensive cats was consistent with the results of molecular modeling study, where compound XIg exhibited the highest hypotensive activity at different doses.
Meanwhile, the design of compounds XIIa-e was based upon the molecular modeling simulation fitting to the previously generated Ang II receptor antagonists hypothesis using catalyst (Hip Hop) modules.
The simulation study revealed that the tetrazolyl analogues of the cyano precursors XIIa-e could be considered as promising hits, while the cyano precursors have low fitting affinities.
As expected, the in vivo hypotensive evaluation of the cyano analogues indicated their low activity.
American Psychological Association (APA)
Ismail, Muhammad A. H.& Abu al-Ula, Dalal A. R.& Abu Zayd, Khalid A. M.& Lasheen, Dina S. M.. 2009. Molecular modeling design, synthesis and biological evaluation of new Imidazoline derivatives linked as A1-AR antagonists and ANG II receptor antagonists. Jordan Journal of Chemistry،Vol. 4, no. 4, pp.329-347.
https://search.emarefa.net/detail/BIM-266489
Modern Language Association (MLA)
Ismail, Muhammad A. H.…[et al.]. Molecular modeling design, synthesis and biological evaluation of new Imidazoline derivatives linked as A1-AR antagonists and ANG II receptor antagonists. Jordan Journal of Chemistry Vol. 4, no. 4 (Dec. 2009), pp.329-347.
https://search.emarefa.net/detail/BIM-266489
American Medical Association (AMA)
Ismail, Muhammad A. H.& Abu al-Ula, Dalal A. R.& Abu Zayd, Khalid A. M.& Lasheen, Dina S. M.. Molecular modeling design, synthesis and biological evaluation of new Imidazoline derivatives linked as A1-AR antagonists and ANG II receptor antagonists. Jordan Journal of Chemistry. 2009. Vol. 4, no. 4, pp.329-347.
https://search.emarefa.net/detail/BIM-266489
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references : p. 346-347
Record ID
BIM-266489