@article { author = {Rashidi Ranjbar,, Parviz and Imanzadeh, Gholam Hossein and Khorramabadi zar, Ahmad and Najafpour, Jamshid}, title = {Structure-Activity Relationship of Imidazobenzodiazepines, an AM1 Semi-Empirical Quantum Mechanics Study}, journal = {Iranian Journal of Chemistry and Chemical Engineering}, volume = {18}, number = {2}, pages = {79-82}, year = {1999}, publisher = {Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECR}, issn = {1021-9986}, eissn = {}, doi = {10.30492/ijcce.1999.10065}, abstract = {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.  }, keywords = {AM1 semi-empirical quantum mechanics,Structure-activity,Imidazobenzodiazepin,Benzodiazepines}, url = {https://ijcce.ac.ir/article_10065.html}, eprint = {https://ijcce.ac.ir/article_10065_c8fc21591311c7e3bd3dacfc358b963a.pdf} }