| Literature DB >> 15556772 |
Athina Geronikaki1, Eugeni Babaev, John Dearden, Wim Dehaen, Dmitrii Filimonov, Irina Galaeva, Valentina Krajneva, Alexey Lagunin, Fliur Macaev, Guenadiy Molodavkin, Vladimir Poroikov, Serghei Pogrebnoi, Victor Saloutin, Alla Stepanchikova, Eugenia Stingaci, Natalia Tkach, Liudmila Vlad, Tatiana Voronina.
Abstract
New anxiolytics have been discovered by prediction of biological activity with computer programs pass and derek for a heterogeneous set of 5494 highly chemically diverse heterocyclic compounds (thiazoles, pyrazoles, isatins, a-fused imidazoles and others). The majority of tested compounds exhibit the predicted anxiolytic effect. The most potent activity was found in 2-(4-nitrophenyl)-3-(4-phenylpiperazinomethyl)imidazo[1,2-a]pyridine 8, 1-[(4-bromophenyl)-2-oxoethyl]-3-(1,3-dioxolano)-2-indolinone 3, 5-hydroxy-3-methoxycarbonyl-1-phenylpyrazole 5 and 2-(4-fluorophenyl)-3-(4-methylpiperazinomethyl)imidazo[1,2-a]pyridine 7. The application of the computer-assisted approach significantly reduced the number of synthesized and tested compounds and increased the chance of finding new chemical entities (NCEs).Entities:
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Year: 2004 PMID： 15556772 DOI： 10.1016/j.bmc.2004.09.016
Source DB: PubMed Journal: Bioorg Med Chem ISSN： 0968-0896 Impact factor: 3.641