Distinguishing between concerted, sequential and barrierless conformational changes: Folding versus allostery

M Roy, A Horovitz - Current Opinion in Structural Biology, 2023 - Elsevier
Abstract Characterization of transition and intermediate states of reactions provides insights
into their mechanisms and is often achieved through analysis of linear free energy …

Optimization of the stability constants of the ternary system of diclofenac/famotidine/β-cyclodextrin by nonlinear least-squares method using theoretical equations

C Tsunoda, S Goto, R Hiroshige, T Kasai… - International Journal of …, 2023 - Elsevier
This study aimed to establish a new method for determining the stability constants of drug/β-
cyclodextrin (β-CD) complexes when multiple drugs interacting with each other coexist in the …

A new model of hemoglobin oxygenation

IA Lavrinenko, GA Vashanov, JL Hernández Cáceres… - Entropy, 2022 - mdpi.com
The study of hemoglobin oxygenation, starting from the classical works of Hill, has laid the
foundation for molecular biophysics. The cooperative nature of oxygen binding to …

Mathematical models describing oxygen binding by hemoglobin

IA Lavrinenko, GA Vashanov… - Biophysical …, 2023 - Springer
Despite the fact that the investigation of the structural and functional properties of
hemoglobin dates back more than 150 years, the topic has not lost its relevance today. The …

New Interpretation of the Hill Coefficient

IA Lavrinenko, GA Vashanov, YD Nechipurenko - Biophysics, 2022 - Springer
A modification is proposed for the Hill equation, which describes the cooperative binding of
a ligand by a macromolecule. A relative coefficient of cooperativity was introduced as a new …

An SPR-based method for Hill coefficient measurements: the case of insulin-degrading enzyme

A Distefano, G Antonio Zingale, G Grasso - Analytical and Bioanalytical …, 2022 - Springer
Insulin-degrading enzyme (IDE) is a highly conserved zinc metallopeptidase and is capable
to catalytically cleave several substrates besides insulin, playing a pivotal role in several …

Cooperative Oxygen Binding with Hemoglobin as a General Model in Molecular Biophysics

IA Lavrinenko, GA Vashanov, AS Buchelnikov… - Biophysics, 2022 - Springer
Studies of hemoglobin and its oxygenation and thermodynamic and mathematical models
developed for the purpose allowed substantial advances in biophysics, and equations …

Partitioning the Hill coefficient into contributions from ligand‐promoted conformational changes and subunit heterogeneity

M Roy, A Horovitz - Protein science, 2022 - Wiley Online Library
Heterooligomers that undergo ligand‐promoted conformational changes are ubiquitous in
nature and involved in many essential processes. Conformational switching often leads to …

Cooperative & competitive binding of anti-myosin tail antibodies revealed by super-resolution microscopy

D Quedan, R Singh, A Akel, AL Bernardino… - Archives of Biochemistry …, 2023 - Elsevier
The MF30 monoclonal antibody, which binds to the myosin subfragment-2 (S2), was found
to increase the extent of myofibril shortening. Yet, previous observations found no effect of …

On the emergence of orientational order in folded proteins with implications for allostery

D Chakraborty, ML Mugnai, D Thirumalai - Symmetry, 2021 - mdpi.com
The beautiful structures of single-and multi-domain proteins are clearly ordered in some
fashion but cannot be readily classified using group theory methods that are successfully …