How to design a drug for the disordered proteins?

Calvin Yu-Chian Chen1, Weng Ieong Tou

  • 1College of Pharmaceutical Sciences, Zhejiang University, 866 Yuhangtang Road, Hangzhou 310058, China; Department of Biotechnology, Asia University, Taichung 41354, Taiwan; Department of Biomedical Informatics, Asia University, Taichung 41354, Taiwan; China Medical University Beigang Hospital, Yunlin 65152, Taiwan; Laboratory of Computational and Systems Biology, China Medical University, Taichung 40402, Taiwan; Department of Medical Research, China Medical University Hospital, Taichung 40447, Taiwan; Computational and Systems Biology, Massachusetts Institute of Technology, Cambridge, MA 02139, USA.

Summary

Designing drugs for intrinsically disordered proteins (IDPs) is challenging. This study introduces a new drug design concept using molecular dynamics (MD) simulations to understand protein disintegration and interactions, aiding IDP drug development.

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