Structure - activity relationship of imidazobenzodiazepines, an AM1 semi-empirical quantum mechanics study

Author(s):

Rashidi , Ranjabarp. , Imanzadeh , Gh.H. , Khorramabadi , Zada. , Najafpuor , J

Abstract:
Conformations and electronic properties of a series of imidazo-benzodiazepines are investigated by AM1 semi-empirical quantum mechanicsmethod. It is shown that substitution of Cl in position 7 instead of 8, changes thegeometry of the seven membered lactam ring; this may put the N5 nitrogen in abetter position to act as a hydrogen bond acceptor, and the phenyl ring in position6 is probably more adapted for hydrphobic pocket of the receptor binding site.
Language:
English
Published:
Iranian Journal of Chemistry and Chemical Engineering, Volume:18 Issue: 2, Nov-Dec 1999
Page:
79
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