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The formed red compound was filtered off, washed with ethanol and crystallized from DMF.
The formed yellow compound was filtered off, washed with ethanol and crystallized from ethanol.
After completion of reaction, the reaction mixture was poured into icecold water and the precipitated title compound was filtered, dried and recrystallized from methanol.
After completion of reaction, the reaction mixture was poured into ice cold water and the precipitated title compound was filtered, dried and recrystallized from methanol.
The formed yellow compound was filtered off, washed with ethanol and crystallized from ethanol as described in our previous publication [5].
The mixture was kept for 12 h and the precipitated compound was filtered, washed with ethanol water mixture (1 1) and dried.
Similar(50)
Based on the crystal structure of integrase in complex with LEDGF/P75, a library containing 80 thousand natural compounds was filtered with virtual screening.
Briefly, the eMolecules catalogue of commercially available compounds was filtered for acceptable drug-like molecular properties.
Then after qualifying compounds were filtered on the parameters of Lipinski's rule and ADME.
Subsequently, the screened compounds were filtered by applying the rule of five, ADMET and molecular docking.
In addition, toxic compounds were filtered out using a categorical SVM model for prediction of mutagenicity trained on Ames-test mutagenicity data (5-fold ROC score: 0.8948).
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