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 …

Machine annealing‐guided navigation of antihypertensive food peptide selectivity between human ACE N‐and C‐domains in structurally interacting diversity space

L Mei, S Shang, S Wang, H Ye… - Journal of Molecular …, 2023 - Wiley Online Library
Human angiotensin‐converting enzyme (ACE) is a well‐established druggable target for the
treatment of hypertension (HTN), which contains two structurally homologous but …

Structural modeling of HLA-B* 1502/peptide/carbamazepine/T-cell receptor complex architecture: implication for the molecular mechanism of carbamazepine-induced …

P Zhou, S Zhang, Y Wang, C Yang… - Journal of Biomolecular …, 2016 - Taylor & Francis
Drug-induced adverse reactions are a significant problem in healthcare worldwide and are
estimated to cost billions of dollars annually in the United States. A portion of such reactions …

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 …

A two-step binding mechanism for the self-binding peptide recognition of target domains

C Yang, S Zhang, Z Bai, S Hou, D Wu, J Huang… - Molecular …, 2016 - pubs.rsc.org
Self-binding peptides (SBPs) represent a novel biomolecular phenomenon spanning
between folding and binding, where a short peptide segment within a monomeric protein …

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 …

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 …

Molecular docking to investigate HLA-associated idiosyncratic drug reactions

K Li, VM Lauschke, Y Zhou - Drug Metabolism Reviews, 2025 - Taylor & Francis
Idiosyncratic drug reactions (IDRs) pose severe threats to patient health. Unlike
conventionally dose-dependent side effects, they are unpredictable and frequently manifest …

Adverse drug reactions triggered by the common HLA-B* 57: 01 variant: a molecular docking study

G Van Den Driessche, D Fourches - Journal of cheminformatics, 2017 - Springer
Background Human leukocyte antigen (HLA) surface proteins are directly involved in
idiosyncratic adverse drug reactions. Herein, we present a structure-based analysis of the …

Docking simulations between drugs and HLA molecules associated with idiosyncratic drug toxicity

N Hirayama - Drug Metabolism and Pharmacokinetics, 2017 - Elsevier
Idiosyncratic drug toxicities (IDTs) caused by certain drugs are a significant cause of
morbidity and mortality for patients. As IDTs are not normally detected even during clinical …