Abstract
As protein–protein interactions (PPIs) are highly involved in most cellular processes, the discovery of PPI inhibitors that mimic the structure of the natural protein partners is a promising strategy toward the discovery of PPI inhibitors. In this review, we discuss recent advances in the application of virtual screening for identifying mimics of protein partners. The classification and function of the mimicking protein partner inhibitor discovery by virtual screening are described. We anticipate that this review would be of interest to medicinal chemists and chemical biologists working in the field of protein–protein interaction inhibitors or probes.
Highlights
Protein–protein interactions (PPIs) are involved in the regulation of biological processes, including cell proliferation, signal transduction, transcription, and apoptosis [1]
We discuss the recent advances in the application of virtual screening to design with many degrees of freedom can complicate the sequence search, which leads to a requirement for protein or peptide mimetics for PPI inhibitor discovery, and we summarize different methods for effective find sequences of related to a particular structure and measure essentialprotein protein virtualmethods screening.toThe classification mimicking strategies and the function of the mimicking folding criteria
We discuss the recent advances in the application of virtual screening to design protein or peptide mimetics for PPI inhibitor discovery, and we summarize different methods for virtual screening
Summary
Protein–protein interactions (PPIs) are involved in the regulation of biological processes, including cell proliferation, signal transduction, transcription, and apoptosis [1]. The rational design of compounds that mimic key interactions at the protein–protein interface is need to be successful overcome,strategy especially false discovery positive rate, limits virtual screening to initial another for its PPIhigh inhibitor [12]. We discuss the recent advances in the application of virtual screening to design with many degrees of freedom can complicate the sequence search, which leads to a requirement for protein or peptide mimetics for PPI inhibitor discovery, and we summarize different methods for effective find sequences of related to a particular structure and measure essentialprotein protein virtualmethods screening.toThe classification mimicking strategies and the function of the mimicking folding criteria. We discuss the recent advances in the application of virtual screening to design protein or peptide mimetics for PPI inhibitor discovery, and we summarize different methods for virtual screening. We describe the application of virtual screening and a mimetic strategy for PPI inhibitor discovery and discuss their merits and drawbacks
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