Efficient repositioning of approved drugs as anti-HIV agents using Anti-HIV-Predictor

Dai, S.-X.; Chen, H.; Li, W.-X.; Guo, Y.-C.; Liu, J.-Q.; Zheng, J.-J.; Wang, Q.; Li, H.-J.; Chen, B.-W.; Gao, Y.-D.; Li, G.-H.; Zheng, Y.-T.; Huang, J.-F.

doi:10.1101/087445

bioRxiv · 10.1101/087445

Efficient repositioning of approved drugs as anti-HIV agents using Anti-HIV-Predictor

Dai, S.-X.·Chen, H.·Li, W.-X.·Guo, Y.-C.·Liu, J.-Q.·Zheng, J.-J.·Wang, Q.·Li, H.-J.·Chen, B.-W.·Gao, Y.-D.·Li, G.-H.·Zheng, Y.-T.·Huang, J.-F.

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Abstract

Development of new, effective and affordable drugs against HIV is urgently needed. In this study, we developed a worlds first web server called Anti-HIV-Predictor (http://bsb.kiz.ac.cn:70/hivpre) for predicting anti-HIV activity of given compounds. This server is rapid and accurate (accuracy >93% and AUC > 0.958). We applied the server to screen 1835 approved drugs for anti-HIV therapy. Totally 67 drugs were predicted to have anti-HIV activity, 25 of which are anti-HIV drugs. Then we experimentally evaluated 35 predicted new anti-HIV compounds by assays of syncytia formation, p24 quantification, cytotoxicity. Finally, we repurposed 7 approved drugs (cetrorelix, dalbavancin, daunorubicin, doxorubicin, epirubicin, idarubicin and valrubicin) as new anti-HIV agents. The original indication of these drugs is involved in a variety of diseases such as female infertility and cancer. Anti-HIV-Predictor and the 7 repurposed anti-HIV agents provided here demonstrate the efficacy of this strategy for discovery of new anti-HIV agents.

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Dai, S.-X., Chen, H., Li, W.-X., Guo, Y.-C., Liu, J.-Q., Zheng, J.-J., Wang, Q., Li, H.-J., Chen, B.-W., Gao, Y.-D., Li, G.-H., Zheng, Y.-T., Huang, J.-F.. 2016-11-14. Efficient repositioning of approved drugs as anti-HIV agents using Anti-HIV-Predictor. https://doi.org/10.1101/087445

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