Parvalbumin role in epilepsy and psychiatric comorbidities: from mechanism to intervention

LD Godoy, T Prizon, MT Rossignoli, JP Leite… - Frontiers in Integrative …, 2022 - frontiersin.org
Parvalbumin is a calcium-binding protein present in inhibitory interneurons that play an
essential role in regulating many physiological processes, such as intracellular signaling …

Calpain Regulation and Dysregulation—Its Effects on the Intercalated Disk

MW Yoder, NT Wright, MA Borzok - International Journal of Molecular …, 2023 - mdpi.com
The intercalated disk is a cardiac specific structure composed of three main protein
complexes—adherens junctions, desmosomes, and gap junctions—that work in concert to …

Calcium ion binding to the mutants of calmodulin: a structure-based computational predictive model of binding affinity using a charge scaling approach in molecular …

A Basit, AK Yadav… - Journal of Chemical …, 2022 - ACS Publications
The binding of calcium ions (Ca2+) to the calcium-binding proteins (CBPs) controls a
plethora of regulatory processes. Among the roles played by CBPs in several diseases, the …

Calcium mediated static and dynamic allostery in S100A12: Implications for target recognition by S100 proteins

Q Wang, C DiForte, A Aleshintsev, G Elci… - Protein …, 2024 - Wiley Online Library
Abstract Structure and functions of S100 proteins are regulated by two distinct calcium
binding EF hand motifs. In this work, we used solution‐state NMR spectroscopy to …

Elucidating the molecular basis of spontaneous activation in an engineered mechanosensitive channel

K Immadisetty, A Polasa, R Shelton… - Computational and …, 2022 - Elsevier
Mechanosensitive channel of large conductance (MscL) detects and responds to changes in
the pressure profile of cellular membranes and transduces the mechanical energy into …

[HTML][HTML] Distribution of ions between different dielectric media: Direct simulation of the Donnan equilibrium in the grand canonical ensemble

D Boda, D Gillespie - Journal of Molecular Liquids, 2023 - Elsevier
A modification of the original Grand Canonical Monte Carlo (GCMC) method to handle
Donnan equilibrium is proposed that provides an equilibrium between two implicit-solvent …

Non-Canonical Interaction between Calmodulin and Calcineurin Contributes to the Differential Regulation of Plant-Derived Calmodulins on Calcineurin

B Sun, X Fang, CN Johnson, G Hauck… - Journal of chemical …, 2021 - ACS Publications
Calmodulin (CaM) serves as an important Ca2+ signaling hub that regulates many protein
signaling pathways. Recently, it was demonstrated that plant CaM homologues can regulate …

[HTML][HTML] Combined effect of confinement and dielectric exclusion on ion adsorption in slits, pores, and cavities

J Szarvas, M Valiskó, D Gillespie, D Boda - AIP advances, 2024 - pubs.aip.org
We present simulation results for the Donnan equilibrium between a homogeneous bulk
reservoir and inhomogeneous confining geometries with varying number of restricted …

Prediction of Kv11. 1 potassium channel PAS-domain variants trafficking via machine learning

K Immadisetty, X Fang, G San Ramon… - Journal of Molecular and …, 2023 - Elsevier
Congenital long QT syndrome (LQTS) is characterized by a prolonged QT-interval on an
electrocardiogram (ECG). An abnormal prolongation in the QT-interval increases the risk for …

Mechanistic Picture for Chemomechanical Coupling in a Bacterial Proton-Coupled Oligopeptide Transporter from Streptococcus Thermophilus

K Immadisetty, M Moradi - The Journal of Physical Chemistry B, 2021 - ACS Publications
Proton-coupled oligopeptide transporters (POTs) use the proton electrochemical gradient to
transport peptides across the cell membrane. Despite the significant biological and …