Altering Selectivity in the Tug-of-War Mechanism by Mechanochemistry –with an Explanation of Catch Bond Behavior DOI Open Access
Wolfgang Quapp, Josep María Bofill

Published: Dec. 15, 2023

We discuss slip bonds, catch bonds and the tug-of-war mechanism using mathematical arguments. propose simple 2-dimensional surface models to demonstrate how potential energy of a molecule under an external force behaves. Examples are selectines. Catch in particular explained more detail. that Newton trajectories powerful tool describe these phenomena. form theoretical background Mechanochemistry.

Language: Английский

Topology of molecular deformations induces triphasic catch bonding in selectin–ligand bonds DOI Creative Commons
Casey O. Barkan, Robijn Bruinsma

Proceedings of the National Academy of Sciences, Journal Year: 2024, Volume and Issue: 121(6)

Published: Jan. 31, 2024

Among the long-standing efforts to elucidate physical mechanisms of protein–ligand catch bonding, particular attention has been directed at family selectin proteins. Selectins exhibit slip, catch–slip, and slip–catch–slip with minor structural modifications causing major changes in selectins’ response force. How can a single mechanism allow interconversion between these various behaviors? We present unifying theory selectin–ligand using structurally motivated free energy landscape show how topology force-induced deformations molecular system produces full range observed behaviors. find that pathway bond rupture deforms non-trivial ways, such unbinding dynamics depend sensitively on This implies severe breakdown Bell’s theory—a paradigmatic used widely modeling—raising questions about suitability modeling other bonds. Our approach be applied broadly systems.

Language: Английский

Citations

7
Theory and Examples of Catch Bonds DOI Creative Commons
Wolfgang Quapp, Josep María Bofill

The Journal of Physical Chemistry B, Journal Year: 2024, Volume and Issue: 128(17), P. 4097 - 4110

Published: April 18, 2024

We discuss slip bonds, catch and the tug-of-war mechanism using mathematical arguments. The aim is to explain theoretical tool of molecular potential energy surfaces (PESs). For this, we propose simple 2-dimensional surface models demonstrate how a molecule under an external force behaves. Examples are selectins. Catch in particular, explained more detail, they contrasted bonds. can support special two-dimensional PESs for E- L-selectin which allow bond property. that Newton trajectories (NT) powerful tools describe these phenomena. NTs form background mechanochemistry.

Language: Английский

Citations

5
To a mechanical model of synthetic catch-bonds DOI Creative Commons
Wolfgang Quapp, Josep María Bofill, Kerim C. Dansuk

et al.

Journal of Mathematical Chemistry, Journal Year: 2025, Volume and Issue: unknown

Published: May 8, 2025

Language: Английский

Citations

0
VII Congress of Russian Biophysicists—2023, Krasnodar, Russia DOI Open Access
Anastasia A. Anashkina, Andrey B. Rubin, Nikita B. Gudimchuk

et al.

Biophysical Reviews, Journal Year: 2023, Volume and Issue: unknown

Published: Oct. 13, 2023

Language: Английский

Citations

3
ASSESSMENT OF THE RELATIONSHIP BETWEEN THE CONCENTRATION OF PSGL-1, NO-SYNTHASES AND NITRIC OXIDE METABOLITES IN THE BLOOD SERUM OF PATIENTS WITH ACUTE ARTERIAL THROMBOSIS DOI
N.V. Korotkova, R.Е. Kalinin, I.А. Suchkov

et al.

Problems of Biological Medical and Pharmaceutical Chemistry, Journal Year: 2024, Volume and Issue: unknown, P. 16 - 21

Published: Sept. 1, 2024

Introduction. PSGL-1 is a complex protein, that provides contacts between blood cells and endothelial by connecting with cell-adhesion mole-cules selectins, it universal participant in the processes of leukocyte adhesion, inflammation immune response. The study possible regulation its functioning an urgent topic, since process interactions selectins can be point therapeutic application. Aim study. Evaluation relationship concentration ligand PSGL-1, inducible (iNOS) (eNOS) NO synthases final metabolites nitric oxide (II) serum patients acute arterial thrombosis. Material methods. concentrations iNOS eNOS were determined, using enzyme immunoassay on analyzer Stat Fax 2100. total stable oxide(II) (nitrates nitrites) was determined spectrophotometric method modified V.A. Metelskaya, coloring reaction diazotization nitrite sulfonamide present com-position Griss reagent. results processed, nonparametric statistics methods Microsoft Office Excel 2016 IBM SPSS Statistics 26 (StatSoftInc., USA). Results. revealed statistically significant increase level synthase thrombosis, compared control group. A direct correlation moderate severity also found nitrates nitrites. low positive eNOS, negative iNOS. Conclusions. According to study, concluded oxide, which generated may have regulatory effect expression or glycoprotein – re-quires more in-depth

Language: Английский

Citations

0
Altering Selectivity in the Tug-of-War Mechanism by Mechanochemistry –with an Explanation of Catch Bond Behavior DOI Open Access
Wolfgang Quapp, Josep María Bofill

Published: Dec. 15, 2023

We discuss slip bonds, catch bonds and the tug-of-war mechanism using mathematical arguments. propose simple 2-dimensional surface models to demonstrate how potential energy of a molecule under an external force behaves. Examples are selectines. Catch in particular explained more detail. that Newton trajectories powerful tool describe these phenomena. form theoretical background Mechanochemistry.

Language: Английский

Citations

0