Photo-assisted conversion of tetracycline in regulated persulfate system: Multiple roles of natural dissolved organic matter.

Advanced oxidation processes (AOPs) using persulfate system can effectively remove organic pollutants. However, dissolved organic matter (DOM) has multiple effects on AOPs efficiency, and the influence of DOMs from natural sources on AOPs is still unclear. In this study, we explored the effects of soil DOM (SDOM) and fertilizer DOM (FDOM) on tetracycline (TC) removal by persulfate systems.

Insight into the binding mode between HIV-1 integrase and pyrimidone analogue inhibitors with MD simulation and 3D-QSAR.

HIV-1 integrase (HIVIN) plays a key role in the replication of the HIV-1 virus and represents an attractive target for anti-HIV drug design. Experimental observation suggests that pyrimidone analogues have potent anti-HIV activity. Then, we modeled an HIVIN catalytic core domain based on the crystal structure of the prototype foamy virus (PFV) integrase.

Revealing the drug-resistant mechanism for diarylpyrimidine analogue inhibitors of HIV-1 reverse transcriptase.

Diaryltriazine (DATA) and diarylpyrimidine (DAPY) were two category inhibitors with highly potent activity for wild type (wt) and four principal mutant types (L100I, K103N, Y181C and Y188L) of HIV-1 reverse transcriptase (RT). We had revealed the drug-resistant mechanism of DATA analogue inhibitors with molecular dynamics simulation and three-dimensional quantitative structure-activity relationship (3D-QSAR) methods. In this work, we investigated the drug-resistant mechanism of DAPY analogue inhibitors.