Computer-aided molecular modeling, synthesis, and biological evaluation of 8-(benzyloxy)-2-phenylpyrazolo [4, 3-c] quinoline as a novel benzodiazepine receptor …

…, T Langer, PG Kamath, ZQ Gu, P Skolnick…

Index: Wang, C.-G.; Langer, T.; Kamath, P. G.; Gu, Z.-Q.; Skolnick, P.; Fryer, R. Ian Journal of Medicinal Chemistry, 1995 , vol. 38, # 6 p. 950 - 957

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Citation Number: 28

Abstract

diazepine 4 were unsuccessful. Therefore, additional low-energy conformers of 1 and 7 were sought using a O-CH, O-CHz Monte Carlo like randomized search strategy (RAN- DOMSEARCH option of SYBYL; see the Experimental Section). Using this procedure, the conformers of 1 and 7 with the lowest potential energy of each search run revealed a great similarity of conformational features, not only with each other, but also with 4. This ...