Drug Repurpusing

Summary

Drug repurposing algorithms rank drugs based on one or multiple streams of information, such as molecular profiles, chemical structures, adverse profiles, molecular docking, electronic health records, pathway analysis, genome wide association studies (GWAS), and network perturbations. Yet, in most studies only a small subset of the top candidates is validated experimentally, hence the true predictive power of the existing repurposing algorithms remains unknown. To quantify and compare their true predictive power, different algorithms must make predictions for the same set of candidates, and the experimental validation must focus not only on the top candidates, as it does now, but on a wider list of drugs chosen independently of their predicted rank.

The advances in drug repurpusing offer a methodological pathway to identify repurposable drugs for future pathogens and neglected diseases underserved by the costs and extended timeline of de novo drug development.

Publications 📚

📄 Patten, JJ, Keiser, P. T., Gysi, D.M., Menichetti, G., Mori, H., Donahue, C. J., Gan, X., Do Valle, I., Geoghegan-Barek, K., Anantpadma, M., Berrigan, J. L., Jalloh, S., Ayazika, T., Wagner, F., Zitnik, M., Ayehunie, S., Anderson, D., Loscalzo, J., Gummuluru, S., Namchuk, M. N., Barabasi, A. L., Davey, R. A. Multidose evaluation of 6,710 drug repurposing library identifies potent SARS-CoV-2 infection inhibitors In Vitro and In Vivo, iScience. (2022). pdf

📄 Gysi, D.M., do Valle, I., Zitnik, M., Ameli, A., Gan, X., Varol, O., Ghiassian, S.D., Patten, J. J., Davey, R.A., Loscalzo, J., Barabasi, A.L. Network medicine framework for identifying drug-repurposing opportunities for COVID-19, Proceedings of the National Academy of Sciences. vol. 118, no. 19 (2021) doi:10.1073/pnas.2025581118