structure-activity relationship of imidazobenzodiazepines, an am1 semi-empirical quantum mechanics study

نویسندگان

parviz rashidi ranjbar,

gholam hossein imanzadeh

ahmad khorramabadi zar

jamshid najafpour

چکیده

conformations and electronic properties of a series of imidazobenzodiazepines are investigated by am1 semi-empirical quantum mechanics method. it is shown that substitution of cl in position 7 instead of 8, changes the geometry of the seven membered lactam ring; this may put the n5 nitrogen in a better positon to act as a hydrogen bond acceptor, and the phenyl ring in position 6 is probably more adapted for hydrophobic pocket of the receptor binding site.

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Structure-Activity Relationship of Imidazobenzodiazepines, an AM1 Semi-Empirical Quantum Mechanics Study

Conformations and electronic properties of a series of imidazobenzodiazepines are investigated by AM1 semi-empirical quantum mechanics method. It is shown that substitution of Cl in position 7 instead of 8, changes the geometry of the seven membered lactam ring; this may put the N5 nitrogen in a better positon to act as a hydrogen bond acceptor, and the phenyl ring in position 6 is probably...

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عنوان ژورنال:
iranian journal of chemistry and chemical engineering (ijcce)

ناشر: iranian institute of research and development in chemical industries (irdci)-acecr

ISSN 1021-9986

دوره 18

شماره 2 1999

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