Allosteric drugs: New principles and design approaches

WV Tee, IN Berezovsky - Current Opinion in Structural Biology, 2024 - Elsevier
Focusing on an important biomedical implication of allostery–design of allosteric drugs, we
describe characteristics of allosteric sites, effectors, and their modes of actions …

Protein structure–function continuum model: Emerging nexuses between specificity, evolution, and structure

MN Gupta, VN Uversky - Protein Science, 2024 - Wiley Online Library
The rationale for replacing the old binary of structure–function with the trinity of structure,
disorder, and function has gained considerable ground in recent years. A continuum model …

[HTML][HTML] Living in trinity of extremes: Genomic and proteomic signatures of halophilic, thermophilic, and pH adaptation

A Amangeldina, ZW Tan, IN Berezovsky - Current Research in Structural …, 2024 - Elsevier
Since nucleic acids and proteins of unicellular prokaryotes are directly exposed to extreme
environmental conditions, it is possible to explore the genomic-proteomic compositional …

Learning about allosteric drugs and ways to design them

ZW Tan, WV Tee, IN Berezovsky - Journal of Molecular Biology, 2022 - Elsevier
While the accelerating quest for precision medicine requires new individually targeting and
selective drugs, and the ability to work with so-called undruggable targets, the realm of …

Exploring the allosteric territory of protein function

WV Tee, ZW Tan, K Lee, E Guarnera… - The journal of physical …, 2021 - ACS Publications
While the pervasiveness of allostery in proteins is commonly accepted, we further show the
generic nature of allosteric mechanisms by analyzing here transmembrane ion-channel …

Circular permutated PQQ‐Glucose dehydrogenase as an ultrasensitive electrochemical biosensor

Z Guo, O Smutok, WA Johnston, CE Ayva… - Angewandte …, 2022 - Wiley Online Library
Protein biosensors play an increasingly important role as reporters for research and clinical
applications. Here we present an approach for the construction of fully integrated but …

Toward the Design of Allosteric Effectors: Gaining Comprehensive Control of Drug Properties and Actions

WV Tee, SJM Lim, IN Berezovsky - Journal of Medicinal Chemistry, 2024 - ACS Publications
While the therapeutic potential of allosteric drugs is increasingly realized, the discovery of
effectors is largely incidental. The rational design of allosteric effectors requires new state-of …

[HTML][HTML] Evolution of intrinsic disorder in protein loops

F Mughal, G Caetano-Anollés - Life, 2023 - mdpi.com
Intrinsic disorder accounts for the flexibility of protein loops, molecular building blocks that
are largely responsible for the processes and molecular functions of the living world. While …

AlloMAPS 2: allosteric fingerprints of the AlphaFold and Pfam-trRosetta predicted structures for engineering and design

ZW Tan, WV Tee, E Guarnera… - Nucleic Acids …, 2023 - academic.oup.com
AlloMAPS 2 is an update of the Allosteric Mutation Analysis and Polymorphism of Signalling
database, which contains data on allosteric communication obtained for predicted structures …

Active and inactive Cdc42 differ in their insert region conformational dynamics

N Haspel, H Jang, R Nussinov - Biophysical Journal, 2021 - cell.com
Cell division control protein 42 homolog (Cdc42) protein, a Ras superfamily GTPase,
regulates cellular activities, including cancer progression. Using all-atom molecular …