Electrophilic warheads in covalent drug discovery: An overview

N Péczka, Z Orgován, P Ábrányi-Balogh… - Expert Opinion on …, 2022 - Taylor & Francis
Introduction Covalent drugs have been used for more than hundred years, but gathered
larger interest in the last two decades. There are currently over a 100 different electrophilic …

Targeting key proteins involved in transcriptional regulation for cancer therapy: Current strategies and future prospective

H Pei, W Guo, Y Peng, H Xiong… - Medicinal Research …, 2022 - Wiley Online Library
The key proteins involved in transcriptional regulation play convergent roles in cellular
homeostasis, and their dysfunction mediates aberrant gene expressions that underline the …

IMPPAT 2.0: An enhanced and expanded phytochemical atlas of Indian medicinal plants

RP Vivek-Ananth, K Mohanraj, AK Sahoo, A Samal - ACS omega, 2023 - ACS Publications
Compilation, curation, digitization, and exploration of the phytochemical space of Indian
medicinal plants can expedite ongoing efforts toward natural product and traditional …

SingPro: a knowledge base providing single-cell proteomic data

X Lian, Y Zhang, Y Zhou, X Sun, S Huang… - Nucleic Acids …, 2024 - academic.oup.com
Single-cell proteomics (SCP) has emerged as a powerful tool for detecting cellular
heterogeneity, offering unprecedented insights into biological mechanisms that are masked …

Reactivity of covalent fragments and their role in fragment based drug discovery

K McAulay, A Bilsland, M Bon - Pharmaceuticals, 2022 - mdpi.com
Fragment based drug discovery has long been used for the identification of new ligands and
interest in targeted covalent inhibitors has continued to grow in recent years, with high …

CovPDB: a high-resolution coverage of the covalent protein–ligand interactome

M Gao, AFA Moumbock, A Qaseem, Q Xu… - Nucleic Acids …, 2022 - academic.oup.com
In recent years, the drug discovery paradigm has shifted toward compounds that covalently
modify disease-associated target proteins, because they tend to possess high potency …

[HTML][HTML] Proteome-wide structural analysis identifies warhead-and coverage-specific biases in cysteine-focused chemoproteomics

MEH White, J Gil, EW Tate - Cell Chemical Biology, 2023 - cell.com
Covalent drug discovery has undergone a resurgence over the past two decades and
reactive cysteine profiling has emerged in parallel as a platform for ligand discovery through …

Genetically encoding latent bioreactive amino acids and the development of covalent protein drugs

N Wang, L Wang - Current Opinion in Chemical Biology, 2022 - Elsevier
As natural proteins generally do not bind targets in a covalent mode, the therapeutic
potential of covalent protein drugs remains largely unexplored. Recently, latent bioreactive …

The expanding repertoire of covalent warheads for drug discovery

NV Mehta, MS Degani - Drug Discovery Today, 2023 - Elsevier
The reactive functionalities of drugs that engage in covalent interactions with the
enzyme/receptor residue in either a reversible or an irreversible manner are …

Drug repurposing against KRAS mutant G12C: a machine learning, molecular docking, and molecular dynamics study

T Srisongkram, N Weerapreeyakul - International Journal of Molecular …, 2022 - mdpi.com
The Kirsten rat sarcoma viral G12C (KRASG12C) protein is one of the most common
mutations in non-small-cell lung cancer (NSCLC). KRASG12C inhibitors are promising for …