title: How to design a drug for the disordered proteins?
abstract: Structural disorders of proteins make drug design a difficult task. The gel-like state of intrinsically disordered protein (IDP) or intrinsically disordered regions (IDRs) remains a big puzzle for drug designers. Here, we propose a novel concept for drug design by understanding protein disintegration and protein-protein interaction (PPI) using molecular dynamics (MD) simulation and propose a possible approach for overcoming current obstacles in IDP drug design.
authors: College 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. Electronic address: ycc929@MIT.EDU.
authors: Calvin Yu-Chian
authors: CY
authors: Chen
authors: Weng Ieong
authors: WI
authors: Tou
mesh_terms: D000818:Animals; D015195:Drug Design; D006801:Humans; D004364:Pharmaceutical Preparations / Q000737:chemistry* / Q000378:metabolism; D011485:Protein Binding / Q000502:physiology; D017510:Protein Folding / Q000187:drug effects; D017433:Protein Structure, Secondary / Q000187:drug effects
chemical_list: D004364:Pharmaceutical Preparations