Title: Компьютерный поиск новых ингибиторов интегразы ВИЧ-1
Abstract: HIV-1 integrase is the third enzyme essential for viral replication. It represents an attractive target for new anti HIV drugs. Diketo acids represent the most prospective class of integrase inhibitors; one of them (S1360) is currently under clinical trials. We prepared the training set containing 90 diketoacid in LOO cross-validation for HIV-1 integrase inhibitors was shown to be 99%. We selected eight new potential HIV-1 integrase inhibitors among about the 700.000 substances from the databases of commercially available chemicals; anti-integrase activity was found experimentally in two selected compounds.
Publication Year: 2005
Publication Date: 2005-01-01
Language: en
Type: article
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