Review
Chemistry, Multidisciplinary
Wing Ying Chow, Gaël De Paepe, Sabine Hediger
Summary: Solid-state NMR spectroscopy with magic-angle spinning enables the investigation of biological systems in their native context. However, low sensitivity due to the presence of other molecular species and the challenge of detecting low concentration species limit the feasibility of certain investigations. By applying dynamic nuclear polarization (DNP), the experimental time required can be significantly reduced, broadening the scope of biological solid-state NMR applications.
Article
Chemistry, Multidisciplinary
Linda Cerofolini, Kristian Vasa, Elisa Bianconi, Maria Salobehaj, Giulia Cappelli, Alice Bonciani, Giulia Licciardi, Anna Perez-Rafols, Luis Padilla-Cortes, Sabrina Antonacci, Domenico Rizzo, Enrico Ravera, Caterina Viglianisi, Vito Calderone, Giacomo Parigi, Claudio Luchinat, Antonio Macchiarulo, Stefano Menichetti, Marco Fragai
Summary: Several protein-drug conjugates are currently used in cancer therapy, relying on covalently attached cytotoxic organic compounds or non-covalent interactions. Human transthyretin (TTR) has been identified as a potential carrier protein for cytotoxic drug delivery. This study demonstrates the importance of integrating multiple biophysical and structural techniques, such as microscale thermophoresis, X-ray crystallography, and NMR. Solid-state NMR is particularly valuable in revealing ligand binding effects and their impact on macromolecular complex stability.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Multidisciplinary
Claire Welton, Parth Raval, Julien Trebosc, G. N. Manjunatha Reddy
Summary: Chemically assisted swapping of labile protons by deuterons is demonstrated for amino acids, polysaccharides, pharmaceutical compounds, and their solid formulations. Solid-state packing interactions in these compounds are investigated using H-1-H-2 isotope correlation NMR spectroscopy (iCOSY). A minute concentration of dopamine, 5 wt% or approximately 100 μg, in a solid formulation can be detected by H-2 NMR at 28.2 T (H-1, 1200 MHz) in under a minute.
CHEMICAL COMMUNICATIONS
(2022)
Article
Chemistry, Physical
Benedikt Soeldner, Kristof Grohe, Peter Neidig, Jelena Auch, Sebastian Blach, Alexander Klein, Suresh K. Vasa, Lars V. Schaefer, Rasmus Linser
Summary: Understanding macromolecular function, interactions, and stability requires detailed assessment of conformational ensembles. Limited by the qualitative or low abundance of solid-state nuclear magnetic resonance internuclear distance information, accurately elucidating the spatial dynamics of solid proteins at physiological temperatures is challenging. However, this study demonstrates unprecedented access to abundant proton-proton internuclear distances, enabling accurate molecular dynamics simulations and providing atomic-level spatial details of conformational dynamics in various biomolecular systems.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Gastroenterology & Hepatology
Maria Chiara De Santis, Luca Gozzelino, Jean Piero Margaria, Andrea Costamagna, Edoardo Ratto, Federico Gulluni, Enza Di Gregorio, Erica Mina, Nicla Lorito, Marina Bacci, Rossano Lattanzio, Gianluca Sala, Paola Cappello, Francesco Novelli, Elisa Giovannetti, Caterina Vicentini, Silvia Andreani, Pietro Delfino, Vincenzo Corbo, Aldo Scarpa, Paolo Ettore Porporato, Andrea Morandi, Emilio Hirsch, Miriam Martini
Summary: This study reveals that loss of PI3K-C2 gamma in pancreatic ductal adenocarcinoma (PDAC) leads to hyperactivation of mTORC1 pathway and rewiring of glutamine metabolism, increasing tumor aggressiveness. Furthermore, PI3K-C2 gamma knockout tumors fail to adapt to metabolic stress induced by glutamine depletion, resulting in cell death. These findings suggest that targeting mTORC1 and glutamine metabolism may be a potential strategy for personalized treatment in PDAC with PI3K-C2 gamma loss.
Review
Chemistry, Multidisciplinary
Lei Yang, Jun Hu, Min-Chao Li, Ming Xu, Zhi-Yuan Gu
Summary: This article summarizes the recent research on nanopore modification, which improves the performance and expands the applications of solid-state nanopores.
CHEMISTRY-AN ASIAN JOURNAL
(2022)
Article
Biochemistry & Molecular Biology
Martin Dracinsky
Summary: This study thoroughly analyzes the large deviations in predicted hydrogen and carbon chemical shifts of a series of solid pyridinium fumarates. The influence of geometry optimization protocol and computational level on the accuracy of predicted chemical shifts is investigated, with improvements suggested for proton chemical-shift predictions through the use of computationally demanding hybrid functional for geometry optimization.
Article
Chemistry, Multidisciplinary
Bethany Mapley, David Townsend, John Griffin, Lorna Ashton, David A. Middleton
Summary: This study characterized the interactions of two ocular corticosteroid drugs with phospholipid bilayers using solid-state NMR and Raman spectroscopy. The results showed different orientations and interactions of the drugs within the lipid bilayers, providing important insights for improving liposomal preparations.
Article
Energy & Fuels
Francesco Panattoni, Jonathan Mitchell, Edmund J. Fordham, Ravinath Kausik, Clare P. Grey, Pieter C. M. M. Magusin
Summary: The study utilized high-field, solid-state NMR methods to analyze kerogen isolates of different maturity levels, finding that the aromatic/aliphatic ratio of kerogen increases with maturity. This increase in ratio is reflected in the H-1 MAS NMR spectra by the intensity ratio of aliphatic-to-aromatic signals, suggesting a decrease in kerogen proton density during maturation.
Review
Biochemistry & Molecular Biology
Vitaly Volkov, Alexander Chernyak, Nikita A. Slesarenko, Irina A. Avilova
Summary: This review focuses on the progress of solvation and mobility studies in solid electrolyte, particularly ion-exchange membranes and composite materials, using NMR techniques. The applications of various NMR techniques are discussed, and comparisons are made between diffusion coefficients and ionic conductivity data. The microscopic mechanism of ionic transfer is also explored.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Materials Science, Paper & Wood
Darren H. Brouwer, Janelle G. Mikolajewski
Summary: A survey of literature on solid-state C-13 NMR spectra of native celluloses shows inconsistencies in reported C-13 chemical shifts for cellulose I alpha and I beta allomorphs. The correct chemical shifts are unclear due to variations of up to 2 ppm. Reliable experimental data is crucial for future work, such as quantum chemical calculations or identification of cellulose phases. By digitizing previous spectra and carefully considering referencing methods, it has been possible to establish a definitive set of correctly referenced C-13 chemical shifts for cellulose I alpha and I beta allomorphs. Additional evidence and new peak assignments were obtained through C-13 NMR experiments on a cellulose I alpha-rich sample. This work resolves inconsistencies and provides essential chemical shift data for future research.
Review
Chemistry, Multidisciplinary
Wing Ying Chow, Gael De Paepe, Sabine Hediger
Summary: Solid-state NMR spectroscopy with magic-angle spinning allows for the study of biological systems in their native context, but sensitivity issues can be a challenge. Dynamic nuclear polarization can overcome this challenge, significantly reducing experimental time and expanding the range of applications.
Review
Chemistry, Multidisciplinary
Sahil Ahlawat, Kaustubh R. Mote, Nils-Alexander Lakomek, Vipin Agarwal
Summary: In the past two decades, solid-state nuclear magnetic resonance (ssNMR) spectroscopy has evolved from investigating small molecules and industrial polymers to decrypting complex biological systems. This transformation is due to improvements in hardware design, sample preparation, and sensitivity. This review discusses state-of-the-art ssNMR methods and recent developments in signal filtering, proton methodologies, and data acquisition speed in fast magic-angle spinning (MAS) systems.
Article
Chemistry, Physical
Clayton J. Dahlman, Rhys M. Kennard, Piotr Paluch, Naveen R. Venkatesan, Michael L. Chabinyc, G. N. Manjunatha Reddy
Summary: Layered hybrid organic-inorganic perovskites, such as the lead halide Ruddlesden-Popper (RP) series, exhibit tunable optoelectronic properties due to dynamic interactions between the ionic perovskite substructure and organic spacer cations. Solid-state NMR spectroscopy was used to characterize the static and dynamic structures of linear alkylammonium and aromatic spacers in lead iodide RP phases, revealing different site-specific rigidity trends for short and long spacers. The study highlights the interplay between spacer interactions with lead iodide octahedra and van der Waals forces in contributing to a variety of site-specific dynamics and structural distortions at intermediate time scales.
CHEMISTRY OF MATERIALS
(2021)
Article
Multidisciplinary Sciences
Alexander Klein, Petra Rovo, Varun V. Sakhrani, Yangyang Wang, Jacob B. Holmes, Viktoriia Liu, Patricia Skowronek, Laura Kukuk, Suresh K. Vasa, Peter Guentert, Leonard J. Mueller, Rasmus Linser
Summary: NMR chemical shifts provide detailed information on the chemical properties of molecules. This study demonstrates the use of higher-dimensional, proton-detected, solid-state NMR to assign a large protein, tryptophan synthase, and characterize its chemical properties and relaxation. The results suggest a connection between active-site chemistry, electrostatic environment, and catalytically important dynamics.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2022)
Article
Oncology
Esther Visser, Sylvia A. A. M. Genet, Remco P. P. A. de Kock, Ben E. E. M. van den Borne, Maggy Youssef-El Soud, Huub N. A. Belderbos, Gerben Stege, Marleen E. A. de Saegher, Susan C. Van't Westeinde, Luc Brunsveld, Maarten A. C. Broeren, Daan Van de Kerkhof, Birgit A. L. M. Deiman, Federica Eduati, Volkher Scharnhorst
Summary: This study aimed to evaluate the performance of liquid biopsy-based decision-support algorithms in diagnosing lung cancer and subtyping it into small-cell and non-small-cell lung cancer. The study found that using protein tumor markers and circulating tumor DNA could improve the accuracy of lung cancer diagnosis. These algorithms are particularly important for patients who cannot undergo tissue biopsies or have inconclusive results.
Article
Biochemistry & Molecular Biology
Nick H. J. Geertjens, Pim J. de Vink, Tim Wezeman, Albert J. Markvoort, Luc Brunsveld
Summary: Mathematical modelling is essential for understanding complex phenomena in chemistry and biology. This study presents a framework for equilibrium models that can be applied to molecular glues and other multicomponent systems. The framework simplifies the analysis and understanding of biomolecular systems, reducing the time and expertise required to integrate equilibrium models into research and development.
RSC CHEMICAL BIOLOGY
(2023)
Article
Chemistry, Multidisciplinary
Thijs W. van Veldhuisen, Wiggert J. Altenburg, Madelief A. M. Verwiel, Lenne J. M. Lemmens, Alexander F. Mason, Maarten Merkx, Luc Brunsveld, Jan C. M. van Hest
Summary: Membraneless organelles play a crucial role in spatial organization and regulation of intracellular processes. This study presents a coacervate system that utilizes the 14-3-3 scaffold protein to investigate enzymatically regulated recruitment of 14-3-3-binding proteins. Synthetic coacervates efficiently load 14-3-3 and phosphorylated binding partners, allowing for increased local concentration and controlled release of proteins.
ADVANCED MATERIALS
(2023)
Article
Biochemical Research Methods
Sylvia A. A. M. Genet, Jur R. E. Wolfs, Chris B. A. K. Vu, Madita Wolter, Maarten A. C. Broeren, Joost van Dongen, Luc Brunsveld, Volkher Scharnhorst, Daan Van de Kerkhof
Summary: We developed a multiplex immunoaffinity liquid chromatography-tandem mass spectrometry (IA LC-MS/MS) assay for quantification of neuron-specific enolase (NSE) alpha and NSE gamma in human serum. The assay showed good accuracy and precision, and measured substantially lower total NSE concentrations compared to conventional immunoassay.
JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES
(2023)
Article
Chemistry, Multidisciplinary
Bente A. Somsen, Rick J. C. Schellekens, Carlo J. A. Verhoef, Michelle R. Arkin, Christian Ottmann, Peter J. Cossar, Luc Brunsveld
Summary: A new approach called "molecular locks" was developed to rapidly access molecular glue-like tool compounds by reversibly reacting with a nucleophilic amino acid on partner proteins. This approach selectively and potently stabilizes protein complexes for supporting molecular glue drug discovery.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Multidisciplinary
Dyana N. Kenanova, Emira J. Visser, Johanna M. Virta, Eline Sijbesma, Federica Centorrino, Holly R. Vickery, Mengqi Zhong, R. Jeffrey Neitz, Luc Brunsveld, Christian Ottmann, Michelle R. Arkin
Summary: Dysregulation of protein-protein interactions (PPIs) commonly leads to disease. PPI stabilization has recently been explored for drug discovery, and disulfide tethering is a method for identifying small molecules that can selectively target PPIs. In this study, disulfide tethering was used to discover selective PPI stabilizers for the hub protein 14-3-3 sigma. Screening of complexes between 14-3-3 and phosphopeptides derived from client proteins identified stabilizing fragments and revealed the ability of some peptides to interact with the tethered fragments. The study validated several fragment stabilizers and provided diverse structures for future optimization.
ACS CENTRAL SCIENCE
(2023)
Article
Chemistry, Multidisciplinary
Emira J. Visser, Priyadarshini Jaishankar, Eline Sijbesma, Marloes A. M. Pennings, Edmee M. F. Vandenboorn, Xavier Guillory, R. Jeffrey Neitz, John Morrow, Shubhankar Dutta, Adam R. Renslo, Luc Brunsveld, Michelle R. Arkin, Christian Ottmann
Summary: Small-molecule stabilization of protein-protein interactions (PPIs) is a promising strategy in chemical biology and drug discovery. In this study, a fragment-linking approach targeting the interface of 14-3-3 and a peptide derived from the estrogen receptor alpha (ERα) protein was developed. The initial hybrid molecule, supported by 20 crystal structures, was optimized to selectively stabilize the 14-3-3/ERα interaction by 25-fold. The high-resolution structures of the fragments, co-crystals, and linked fragments demonstrate a feasible strategy for developing orthosteric PPI stabilizers.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Biochemistry & Molecular Biology
Qi Wu, Federica Centorrino, Xavier Guillory, Madita Wolter, Christian Ottmann, Peter J. Cossar, Luc Brunsveld
Summary: Protein-protein interaction modulation is a promising approach in drug discovery. This study discovered a new PPI stabilizer and revealed its mechanism of action through structure-activity relationship and X-ray structural analysis.
Article
Chemistry, Multidisciplinary
Markella Konstantinidou, Emira J. Visser, Edmee Vandenboorn, Sheng Chen, Priyadarshini Jaishankar, Maurits Overmans, Shubhankar Dutta, R. Jeffrey Neitz, Adam R. Renslo, Christian Ottmann, Luc Brunsveld, Michelle R. Arkin
Summary: The stabilization of protein-protein interactions (PPIs) is a promising strategy in chemical biology and drug discovery. This study presents the structure-based optimization of a nonselective fragment to develop selective and highly potent small-molecule stabilizers. Through determination of the binding modes of 37 compounds and optimization of the stabilizer's structure, potency and selectivity similar to a natural product were achieved.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Organic
Sarah Zinken, Axel Pahl, Michael Grigalunas, Herbert Waldmann
Summary: Chromaline pseudo-natural products are a collection of topologically diverse compounds that were designed to access novel biological space by combining chromane and 4H-quinoline natural product fragments. The compounds possess both drug-like and natural product-like properties and have distinct bioactivity profiles compared to previous pseudo-natural product collections. This suggests that the new fragment combination may have led to a unique bioactivity.
Article
Biochemistry & Molecular Biology
Blaz Andlovic, Geronimo Heilmann, Sabrina Ninck, Sebastian A. Andrei, Federica Centorrino, Yusuke Higuchi, Nobuo Kato, Luc Brunsveld, Michelle Arkin, Sascha Menninger, Axel Choidas, Alexander Wolf, Bert Klebl, Farnusch Kaschani, Markus Kaiser, Jan Eickhoff, Christian Ottmann
Summary: The study reveals that the natural product family of fusicoccanes (FCs) exhibits anti-cancer activity, particularly when combined with established therapeutic agents, by stabilizing 14-3-3 protein-protein interactions (PPIs). Through proteomics analysis, specific 14-3-3 PPIs induced by interferon a (IFNa) and stabilized by FCs in OVCAR-3 cells were identified. Biophysical and structural biology studies further confirm these 14-3-3 PPIs as physical targets of FC stabilization, and transcriptome analysis suggests possible mechanisms for the synergistic effect of IFNa/FC treatment on cancer cells.
CELL CHEMICAL BIOLOGY
(2023)
Article
Chemistry, Multidisciplinary
Carlo J. A. Verhoef, Danielle F. F. Kay, Lars van Dijck, Richard G. G. Doveston, Luc Brunsveld, Aneika C. C. Leney, Peter J. J. Cossar
Summary: This study investigates the mechanisms of covalent molecular glue stabilization by combining native mass spectrometry (MS) with biophysical and structural techniques. The study elucidates the stoichiometry, assembly order, and contributions of covalent and non-covalent binding events in a multi-component protein-ligand complex. The findings provide insights into covalent small molecule ligation mechanisms and inform the development of molecular glues.
Article
Chemistry, Multidisciplinary
Markella Konstantinidou, Emira J. Visser, Edmee Vandenboorn, Sheng Chen, Priyadarshini Jaishankar, Maurits Overmans, Shubhankar Dutta, R. Jeffrey Neitz, Adam R. Renslo, Christian Ottmann, Luc Brunsveld, Michelle R. Arkin
Summary: The stabilization of protein-protein interactions (PPIs) is a promising strategy in chemical biology and drug discovery. In this study, selective and potent small-molecule stabilizers for the 14-3-3s/ERa complex were optimized through structure-based optimization. By targeting specific amino acids and locking the conformation, the optimized covalent stabilizer achieved potency, cooperativity, and selectivity similar to a natural product. The study highlights the value of addressing structure, kinetics, and cooperativity in molecular glue development.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Biochemical Research Methods
Arjan Hazegh Nikroo, Lenne J. M. Lemmens, Tim Wezeman, Christian Ottmann, Maarten Merkx, Luc Brunsveld
Summary: Scaffold proteins play crucial roles in cellular process regulation and the construction of controllable scaffolding platforms is attractive for synthetic biology. This study presents a modular and switchable synthetic scaffolding system, integrating scaffold-mediated signaling with switchable kinase/phosphatase input control, and demonstrates the reversibility and controllability of the regulatory platform.
ACS SYNTHETIC BIOLOGY
(2022)
Article
Chemistry, Multidisciplinary
Bente A. Somsen, Fenna W. B. Craenmehr, Wei-Hong W. Liu, Auke A. Koops, Marloes A. M. Pennings, Emira J. Visser, Christian Ottmann, Peter J. Cossar, Luc Brunsveld
Summary: Molecular glues represent a novel approach in drug discovery, however, the targeted stabilization of protein complexes is still challenging due to a lack of drug design rules. This study demonstrates the successful development of a peptide-based molecular glue that selectively stabilizes the 14-3-3/ChREBP protein-protein interaction by utilizing the functional mapping of hotspots.
Article
Biochemistry & Molecular Biology
Philipp Grad, Katarina Edwards, Lars Gedda, Victor Agmo Hernandez
Summary: This study investigates the effects of polyethylene glycol-(PEG) modified lipids and gangliosides on the Ca2+ induced interaction between liposomes composed of palmitoyl-oleoyl phosphatidylethanolamine (POPE) and palmitoyl-oleoyl phosphatidylserine (POPS) at physiological ionic strength. The results show that naked liposomes tend to adhere, rupture, and collapse on each other's surfaces upon addition of Ca2+, eventually resulting in the formation of large multilamellar aggregates and bilayer sheets. However, the presence of gangliosides or PEGylated lipids leads to the formation of small, long-lived bilayer fragments/disks. PEGylated lipids seem to be more effective than gangliosides at stabilizing these structures. The study suggests that direct liposome-liposome fusion is not the dominating process triggered by Ca2+ in the systems studied.
BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES
(2024)
Article
Biochemistry & Molecular Biology
Saurabh Saraswat, Archana Chugh
Summary: Cell penetrating peptides (CPP) are important tools for intracellular delivery of molecules. In this study, a novel marine-derived CPP from Engraulis japonicus, called Engraulisin, was reported. Engraulisin demonstrated successful cellular uptake and selective antimicrobial activity against Methicillin-resistant Staphylococcus aureus (MRSA), making it a potential candidate for drug delivery.
BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES
(2024)
Article
Biochemistry & Molecular Biology
Emanuela Efodili, Ashlynn Knight, Maryem Mirza, Cedric Briones, Il-Hyung Lee
Summary: This study demonstrates the spontaneous transfer of small membrane-bound peptides between a supported lipid bilayer and giant unilamellar vesicles in vitro. The transfer occurs through the formation of hemi-fusion stalks and is limited to small peptides due to the highly curved structure of the stalk. This system provides a synthetic platform for studying peptide trafficking between synthetic membranes.
BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES
(2024)
Article
Biochemistry & Molecular Biology
Yueqi Niu, Si Jia Chen, Jeffery B. Klauda
Summary: Macrophage membranes in the activated state are more tightly packed, exhibit increased chain order across lipid species, and form specific lipid clusters. These findings provide physiologically accurate models for future computational studies of macrophage membranes and their proteins.
BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES
(2024)
Article
Biochemistry & Molecular Biology
Niki Baccile, Vincent Chaleix, Ingo Hoffmann
Summary: This study measured the bending rigidity of self-assembled structures formed by a new biobased glucolipid bioamphiphile using neutron spin-echo (NSE) technology. The results showed that the bending rigidity of these structures is lower or higher compared to phospholipid membranes, providing a new theoretical basis for the application of these new molecular systems.
BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES
(2024)
Article
Biochemistry & Molecular Biology
Alain Bolano Alvares, Pablo E. A. Rodriguez, Gerardo D. Fidelio
Summary: The behavior of amphiphilic molecules at the air/water interface was studied to evaluate the arrangement formed in a confined area. The surface properties of zwitterionic DPPC lipid and A beta(1-40) amyloid peptide in mixed films were investigated at different temperatures. DPPC undergoes a phase transition depending on temperature and lateral pressure, which allows for the study of its influence on amyloid structure formation.
BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES
(2024)
Article
Biochemistry & Molecular Biology
Lukasz Plachta, Marzena Mach, Magdalena Kowalska, Pawel Wydro
Summary: Resveratrol, a popular phytoalexin found in grapes and red wine, has beneficial effects on the cardiovascular system, exhibits antiviral, antibacterial, and antifungal properties, and may have therapeutic effects against cancer. This study investigates the interaction of resveratrol with model cell membranes, demonstrating changes in their physicochemical parameters and highlighting the role of cholesterol content in resveratrol incorporation. The findings suggest that the molecular mechanism of action of resveratrol may involve interactions with lipid rafts.
BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES
(2024)
Article
Biochemistry & Molecular Biology
Edurne Rujas, Beatriz Apellaniz, Johana Torralba, David Andreu, Jose M. M. Caaveiro, Shixia Wang, Shan Lu, Jose L. Nieva
Summary: This study investigates the role of fusion peptide and Trp-rich membrane proximal external region in HIV-1 fusion and demonstrates that liposome-based formulations containing FP-MPER hybrid peptides can induce the production of specific neutralizing antibodies in rabbits. The results support the use of liposomes as vaccine carriers and the inclusion of lipid membranes in immunogens to elicit specific humoral responses.
BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES
(2024)
Article
Biochemistry & Molecular Biology
Dailin Li, Dingyuan Shi, Lei Wang
Summary: G protein-gated inwardly rectifying potassium (GIRK) channels play a significant role in regulating cell excitability. This study investigated the ion permeation mechanism in GIRK2 mutants using molecular dynamic simulations and QM/MM methods. The results revealed the importance of a multi-ion distribution for ion conduction.
BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES
(2024)
Article
Biochemistry & Molecular Biology
Max J. den Uijl, Arnold J. M. Driessen
Summary: Membrane protein insertion into and translocation across the bacterial cytoplasmic membrane are essential processes facilitated by the Sec translocon. The phospholipid dependence of membrane protein insertion has remained mostly unknown. This study reveals that the insertion of the mannitol permease MtlA into the membrane depends on the presence of phosphatidylglycerol and is stimulated by phosphatidylethanolamine.
BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES
(2024)
Article
Biochemistry & Molecular Biology
Patrick Allen, Adam C. Smith, Vernon Benedicto, Abbas Abdulhasan, Vasanthy Narayanaswami, Enrico Tapavicza
Summary: We explore the stability, size, and structure of nanodiscs formed by the N-terminal domain of apolipoprotein E3 and a variable number of 1,2-dimyristoyl-sn-glycero-3-phosphocholine molecules. Our simulations suggest that nanodiscs containing 240 to 420 DMPC molecules are stable. The antiparallel configuration shows more protein-protein interactions and ionic contacts, as well as greater stability and rigidity compared to the parallel configuration.
BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES
(2024)
Article
Biochemistry & Molecular Biology
Patrick M. Keating, Nicholas P. Schifano, Xinrui Wei, Matthew Y. Kong, Jinwoo Lee
Summary: Lassa virus (LASV) infection is dependent on the fusion of its viral membrane with the host cell membrane, and our study reveals that this fusion process involves pH-dependent conformational changes in the transmembrane domain of LASV. These findings provide valuable insights into the fusion mechanism of LASV and can be utilized in the design of therapeutics to combat Lassa virus infections and prevent its potential spread.
BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES
(2024)
Article
Biochemistry & Molecular Biology
Ashley L. Bennett, Kristen N. Cranford, Austin L. Bates, Christopher R. Sabatini, Hee-Seung Lee
Summary: This study employed molecular dynamics simulations to elucidate the binding, folding, and insertion details of TP10W in the cell membrane. The simulations revealed that TP10W can translocate across the lipid membrane as a monomer, and the charged amino acid side chains can move between lipid leaflets. Comparison with point mutated variants demonstrated significant conformational changes due to charge distribution.
BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES
(2024)
Article
Biochemistry & Molecular Biology
Jessica H. van Wonderen, Jason C. Crack, Marcus J. Edwards, Thomas A. Clarke, Gerhard Saalbach, Carlo Martins, Julea N. Butt
Summary: Electrogenic bacteria transfer excess respiratory electrons to metal oxide particles and electrodes through the MtrCAB complex. The crystal structure of MtrCAB from S. baltica OS185 was resolved, and liquid chromatography mass spectrometry was used to determine the mass values of the three proteins in purified MtrCAB complexes.
BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES
(2024)
Review
Biochemistry & Molecular Biology
Yi-Ming Chen, Ching-Tai Lu, Chia-Wen Wang, Wolfgang B. Fischer
Summary: A series of dye ligands were ranked based on docking experiments, selecting the most suitable ligands for binding with different proteins. Additionally, a comparison study was conducted on a series of repurposing drugs and known antivirals.
BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES
(2024)
