TY - JOUR ID - 10065 TI - Structure-Activity Relationship of Imidazobenzodiazepines, an AM1 Semi-Empirical Quantum Mechanics Study JO - Iranian Journal of Chemistry and Chemical Engineering JA - IJCCE LA - en SN - 1021-9986 AU - Rashidi Ranjbar,, Parviz AU - Imanzadeh, Gholam Hossein AU - Khorramabadi zar, Ahmad AU - Najafpour, Jamshid AD - Department of Chemistry, Faculty of Science, Tehran University, Tehran, I.R. IRAN Y1 - 1999 PY - 1999 VL - 18 IS - 2 SP - 79 EP - 82 KW - AM1 semi-empirical quantum mechanics KW - Structure-activity KW - Imidazobenzodiazepin KW - Benzodiazepines DO - 10.30492/ijcce.1999.10065 N2 - 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.   UR - https://ijcce.ac.ir/article_10065.html L1 - https://ijcce.ac.ir/article_10065_c8fc21591311c7e3bd3dacfc358b963a.pdf ER -