Drug–target association kinetics in drug discovery

AP IJzerman, D Guo - Trends in biochemical sciences, 2019 - cell.com
The important role of ligand–receptor binding kinetics in drug design and discovery is
increasingly recognized by the drug research community. Over the past decade …

Systematic comparison and comprehensive evaluation of 80 amino acid descriptors in peptide QSAR modeling

P Zhou, Q Liu, T Wu, Q Miao, S Shang… - Journal of chemical …, 2021 - ACS Publications
The peptide quantitative structure–activity relationship (QSAR), also known as the
quantitative sequence–activity model (QSAM), has attracted much attention in the bio-and …

Integrated unsupervised–supervised modeling and prediction of protein–peptide affinities at structural level

P Zhou, L Wen, J Lin, L Mei, Q Liu… - Briefings in …, 2022 - academic.oup.com
Cell signal networks are orchestrated directly or indirectly by various peptide-mediated
protein–protein interactions, which are normally weak and transient and thus ideal for …

Is protein context responsible for peptide-mediated interactions?

P Zhou, Q Miao, F Yan, Z Li, Q Jiang, L Wen… - Molecular Omics, 2019 - pubs.rsc.org
Many cell signaling pathways are orchestrated by the weak, transient, and reversible protein–
protein interactions that are mediated by the binding of a short peptide segment in one …

Targeting Self-Binding Peptides as a Novel Strategy To Regulate Protein Activity and Function: A Case Study on the Proto-oncogene Tyrosine Protein Kinase c-Src

Z Bai, S Hou, S Zhang, Z Li, P Zhou - Journal of Chemical …, 2017 - ACS Publications
Previously, we have reported a new biomolecular phenomenon spanning between protein
folding and binding, termed as self-binding peptides (SBPs), where a short peptide segment …

Context contribution to the intermolecular recognition of human ACE2-derived peptides by SARS-CoV-2 spike protein: implications for improving the peptide affinity …

P Zhou, H Wang, Z Chen, Q Liu - Molecular Omics, 2021 - pubs.rsc.org
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is an etiological agent of
the current rapidly growing outbreak of coronavirus disease (COVID-19), which is straining …

Disrupting the intramolecular interaction between proto-oncogene c-Src SH3 domain and its self-binding peptide PPII with rationally designed peptide ligands

P Zhou, S Hou, Z Bai, Z Li, H Wang… - Artificial Cells …, 2018 - Taylor & Francis
Proto-oncogene non-receptor tyrosine protein kinase c-Src has been involved in the
development, progression and metastasis of a variety of human cancers. This protein …

Why the first self-binding peptide of human c-Src kinase does not contain class II motif but can bind to its cognate Src homology 3 domain in class II mode?

P Zhou, F Yan, Q Miao, Z Chen… - Journal of Biomolecular …, 2021 - Taylor & Francis
Abstract Src homology 3 (SH3) domains are small protein modules involved in the
regulation of important cellular pathways such as proliferation and migration, which …

Self-binding peptides: binding-upon-folding versus folding-upon-binding

Z Li, F Yan, Q Miao, Y Meng, L Wen, Q Jiang… - Journal of Theoretical …, 2019 - Elsevier
Self-binding peptide (SBP) represents a novel biomolecular phenomenon spanning
between folding and binding. It is a structurally independent, short peptide segment within a …

Structure-based derivation and intramolecular cyclization of peptide inhibitors from PD-1/PD-L1 complex interface as immune checkpoint blockade for breast cancer …

K Zhou, J Lu, X Yin, H Xu, L Li, B Ma - Biophysical chemistry, 2019 - Elsevier
The interaction event between programmed death receptor-1 (PD-1) and its ligand (PD-L1)
functions as an essential immune checkpoint against cytotoxic T effector cell activation …