Tackling undruggable targets with designer peptidomimetics and synthetic biologics

CS Swenson, G Mandava, DM Thomas… - Chemical …, 2024 - ACS Publications
The development of potent, specific, and pharmacologically viable chemical probes and
therapeutics is a central focus of chemical biology and therapeutic development. However, a …

BIOPEP-UWM database of bioactive peptides: Current opportunities

P Minkiewicz, A Iwaniak, M Darewicz - International journal of molecular …, 2019 - mdpi.com
The BIOPEP-UWM™ database of bioactive peptides (formerly BIOPEP) has recently
become a popular tool in the research on bioactive peptides, especially on these derived …

Elucidation of the role of in silico methodologies in approaches to studying bioactive peptides derived from foods

A Iwaniak, M Darewicz, D Mogut… - Journal of Functional …, 2019 - Elsevier
Since the definition of bioactive peptides has been firstly published, the knowledge about
these molecules is still being improved. It stems from the progress in research methods …

PEP-FOLD3: faster de novo structure prediction for linear peptides in solution and in complex

A Lamiable, P Thévenet, J Rey, M Vavrusa… - Nucleic acids …, 2016 - academic.oup.com
Abstract Structure determination of linear peptides of 5–50 amino acids in aqueous solution
and interacting with proteins is a key aspect in structural biology. PEP-FOLD3 is a novel …

BitterDB: taste ligands and receptors database in 2019

A Dagan-Wiener, A Di Pizio, I Nissim… - Nucleic Acids …, 2019 - academic.oup.com
Abstract BitterDB (http://bitterdb. agri. huji. ac. il) was introduced in 2012 as a central
resource for information on bitter-tasting molecules and their receptors. The information in …

Identification and molecular docking study of fish roe-derived peptides as potent BACE 1, AChE, and BChE inhibitors

Z Yu, H Ji, J Shen, R Kan, W Zhao, J Li, L Ding, J Liu - Food & Function, 2020 - pubs.rsc.org
Acetylcholinesterase (AChE), butyrylcholinesterase (BChE), and beta-secretase 1 (BACE 1)
play vital roles in the development and progression of Alzheimer's disease (AD). The …

Peptidomimetic inhibitors of TMPRSS2 block SARS-CoV-2 infection in cell culture

L Wettstein, PM Knaff, C Kersten, P Müller… - Communications …, 2022 - nature.com
The transmembrane serine protease 2 (TMPRSS2) primes the SARS-CoV-2 Spike (S)
protein for host cell entry and represents a promising target for COVID-19 therapy. Here we …

Peptide-aware chemical language model successfully predicts membrane diffusion of cyclic peptides

AL Feller, CO Wilke - Journal of Chemical Information and …, 2025 - ACS Publications
Language modeling applied to biological data has significantly advanced the prediction of
membrane penetration for small-molecule drugs and natural peptides. However, accurately …

StaPep: An Open-Source Toolkit for Structure Prediction, Feature Extraction, and Rational Design of Hydrocarbon-Stapled Peptides

Z Wang, J Wu, M Zheng, C Geng, B Zhen… - Journal of Chemical …, 2024 - ACS Publications
All-hydrocarbon stapled peptides, with their covalent side-chain constraints, provide
enhanced proteolytic stability and membrane permeability, making them superior to linear …

[HTML][HTML] A random forest model for peptide classification based on virtual docking data

H Feng, F Wang, N Li, Q Xu, G Zheng, X Sun… - International Journal of …, 2023 - mdpi.com
The affinity of peptides is a crucial factor in studying peptide–protein interactions. Despite
the development of various techniques to evaluate peptide–receptor affinity, the results may …