| Conţinutul numărului revistei |
| Articolul precedent |
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 SM ISO690:2012GERONIKAKI, Athina, BABAEV, Eugen, DEARDEN, John C., MAKAEV, Fliur, POGREBNOI, Serghei, STYNGACH, Evgenia, VLAD, Liudmila, NOI, Autori. Design, synthesis, computational and biological evaluation of new anxiolytics. In: Bioorganic and Medicinal Chemistry, 2004, vol. 12, pp. 6559-6568. ISSN 0968-0896. DOI: https://doi.org/10.1016/j.bmc.2004.09.016 |
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  Bioorganic and Medicinal Chemistry |
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| Volumul 12 / 2004 / ISSN 0968-0896 /ISSNe 1464-3391 | |
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| DOI:https://doi.org/10.1016/j.bmc.2004.09.016 | |
| Pag. 6559-6568 | |
| Rezumat | |
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). |
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| Cuvinte-cheie 2-Indolinones, Anxiolytics, Fused imidazoles, pass, Pyrazoles, synthesis, Thiazoles |
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