Allosteric drugs and mutations: chances, challenges, and necessity

E Guarnera, IN Berezovsky - Current opinion in structural biology, 2020 - Elsevier
Highlights•Allosteric drugs have become an indispensable tool in precision medicine.•Major
targets for allosteric drugs: diversity structures and functions.•Allosteric effects of mutations …

NQO1: A target for the treatment of cancer and neurological diseases, and a model to understand loss of function disease mechanisms

SK Beaver, N Mesa-Torres, AL Pey… - Biochimica et Biophysica …, 2019 - Elsevier
Abstract NAD (P) H quinone oxidoreductase 1 (NQO1) is a multi-functional protein that
catalyses the reduction of quinones (and other molecules), thus playing roles in xenobiotic …

[HTML][HTML] Modulation of allosteric coupling by mutations: from protein dynamics and packing to altered native ensembles and function

AN Naganathan - Current opinion in structural biology, 2019 - Elsevier
Highlights•Mutational effects are consistently felt beyond the first shell of
interactions.•Mutations modulate the dynamics and chemical shifts of distal …

On the perturbation nature of allostery: sites, mutations, and signal modulation

E Guarnera, IN Berezovsky - Current opinion in structural biology, 2019 - Elsevier
Regardless of the diversity of systems, allosteic signalling is found to be always caused by
perturbations. This recurring trait of allostery serves as a foundation for developing different …

Toward comprehensive allosteric control over protein activity

E Guarnera, IN Berezovsky - Structure, 2019 - cell.com
Universality of allosteric signaling in proteins, molecular machines, and receptors
complemented by the great advantages of prospected allosteric drugs in the highly specific …

Allosteric communication in the multifunctional and redox NQO1 protein studied by cavity-making mutations

JL Pacheco-Garcia, DS Loginov, E Anoz-Carbonell… - Antioxidants, 2022 - mdpi.com
Allosterism is a common phenomenon in protein biochemistry that allows rapid regulation of
protein stability; dynamics and function. However, the mechanisms by which allosterism …

Energy transport across interfaces in biomolecular systems

DM Leitner, HD Pandey, KM Reid - The Journal of Physical …, 2019 - ACS Publications
Energy transport during chemical reactions or following photoexcitation in systems of
biological molecules is mediated by numerous interfaces that separate chemical groups and …

Supertertiary protein structure affects an allosteric network

L Laursen, J Kliche, S Gianni… - Proceedings of the …, 2020 - National Acad Sciences
The notion that protein function is allosterically regulated by structural or dynamic changes
in proteins has been extensively investigated in several protein domains in isolation. In …

Loss of stability and unfolding cooperativity in hPGK1 upon gradual structural perturbation of its N-terminal domain hydrophobic core

JL Pacheco-García, DS Loginov, AN Naganathan… - Scientific reports, 2022 - nature.com
Phosphoglycerate kinase has been a model for the stability, folding cooperativity and
catalysis of a two-domain protein. The human isoform 1 (hPGK1) is associated with cancer …

The direct STAT3 inhibitor 6-ethoxydihydrosanguinarine exhibits anticancer activity in gastric cancer

X Liu, X Jin, H Ou, C Qian, H Wu, C Zuo… - Acta Materia …, 2022 - scienceopen.com
Signal transducer and activator of transcription 3 (STAT3) plays a key role in promoting
tumor malignant progression. Suppression of hyperactivated STAT3 signaling has emerged …