Article
Biochemistry & Molecular Biology
Harutyun Sahakyan, Karen Nazaryan, Arcady Mushegian, Irina Sorokina
Summary: Molecular dynamics simulations were performed to study protein folding. By applying rotational force to the C-terminal amino acid while restricting the movement of the N-terminal amino acid, the folding of four protein domains was accelerated at least by an order of magnitude. These results suggest that external forces and constraints can bias the motions of the polypeptide and facilitate the attainment of stable fold.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Biochemistry & Molecular Biology
Dora Balazs, Tamas Marik, Andras Szekeres, Csaba Vagvolgyi, Laszlo Kredics, Chetna Tyagi
Summary: This study investigated the production of peptaibols by various Trichoderma strains and their correlation with structure-activity relationships. The results showed that T. longibrachiatum f. bissettii SZMC 12546 exerted the lowest minimum inhibitory concentrations (MIC) against Gram-positive bacteria and also inhibited the plant pathogenic Gram-negative Rhizobium radiobacter. Molecular dynamics simulations revealed that the folding dynamics of Group A peptaibols were more restricted and had well-folded helical conformations, which may contribute to their bioactivity against bacteria.
COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL
(2023)
Article
Biochemistry & Molecular Biology
Shan Zhang, Ming Ma, Zhuang Shao, Jincheng Zhang, Lei Fu, Xiangyuan Li, Weihai Fang, Lianghui Gao
Summary: Temporins are a family of antimicrobial peptides isolated from frog skin, which are very short, weakly charged, and highly hydrophobic. They execute bactericidal activities by folding into α-helices at the membrane surface, extracting lipids, and forming protrusions at high peptide concentrations. These unique antimicrobial mechanisms include lipid extraction and tubule-like protrusion formation.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
Article
Chemistry, Medicinal
Ellynes Amancio Correia Nunes, Maria Claudia da Silva, Marlon Henrique Cardoso, Sergio Leandro Espindola Preza, Lucas Silva de Oliveira, Breno Emanuel Farias Frihling, Sebastien Olivier Charneau, Philippe Grellier, Octavio Luiz Franco, Ludovico Migliolo
Summary: This study found that synthetic polyalanine peptides Pa-MAP1.9 and Pa-MAP2 derived from polar fish can inhibit the growth of sleeping sickness pathogens, suggesting their potential as a treatment for sleeping sickness.
Article
Agriculture, Multidisciplinary
Qiong Zhao, Li He, Xuefeng Wang, Xuesong Ding, Lige Li, Yang Tian, Aixiang Huang
Summary: The present study identified and characterized a novel antimicrobial peptide, MOp2, from Moringa oleifera seed protein. MOp2 showed potential antimicrobial effects on Staphylococcus aureus, with negligible hemolytic activity and maintained antimicrobial activity under different conditions. Additionally, MOp2 caused membrane damage to S. aureus cells and interacted with key enzymes in bacteria to inhibit growth.
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
(2022)
Article
Biochemistry & Molecular Biology
Jia Li, Xuemei Lu, Wendong Ma, Zhonglan Chen, Shuqing Sun, Qinghui Wang, Bing Yuan, Kai Yang
Summary: The study demonstrates that existing cholesterols in animal cell membranes can inhibit the membrane poration activity of melittin. This inhibitory effect is attributed to the accumulation of Chol molecules around the membrane-bound peptide chains, hindering further insertion of peptides into the membrane. These findings suggest the potential to develop targeted drugs based on the membrane component specificity between bacterial and animal cells.
FRONTIERS IN MOLECULAR BIOSCIENCES
(2021)
Article
Biochemistry & Molecular Biology
Julio Cesar Moreira Brito, Lucas Raposo Carvalho, Amanda Neves de Souza, Guilherme Carneiro, Paula Prazeres Magalhas, Luiz Macedo Farias, Natalia Rocha Guimaras, Rodrigo Moreira Verly, Jarbas Magalhaes Resende, Maria Elena de Lima
Summary: This study explores the impact of PEGylation on the biological activity and structure of antimicrobial peptides, demonstrating that PEGylation can reduce toxicity while maintaining antimicrobial activity.
FRONTIERS IN MOLECULAR BIOSCIENCES
(2022)
Article
Biochemistry & Molecular Biology
Rajavenkatesh Krishnamoorthy, Meenakshi Singh, Parthiban Anaikutti, L. Edwin Paul, Sivasankaran Dhanasekaran, Thennarsu Sathiah
Summary: Two novel short peptides, P1 and P2, were designed and synthesized, which showed strong binding ability to receptors and proteins related to tumor. The peptides demonstrated good anticancer activities against cancer cells and low cytotoxicity to normal cells. In silico studies were conducted to predict the binding sites and orientation of the peptides for potential anticancer targets.
BIOORGANIC CHEMISTRY
(2023)
Review
Chemistry, Multidisciplinary
Tracey Luu, Wenyi Li, Neil M. O'Brien-Simpson, Yuning Hong
Summary: AMPs are being intensively researched as promising alternatives to antibiotics due to the emergence of antimicrobial resistance. Development of fluorescent probes, particularly AIE probes, has facilitated the understanding of AMPs mechanisms and properties, sparking increased interest in using AIE probes for AMP studies.
CHEMISTRY-AN ASIAN JOURNAL
(2021)
Article
Biochemistry & Molecular Biology
Krzysztof Kuczera, Robert Szoszkiewicz, Christopher Shaffer, Gouri Jas
Summary: In this study, we used molecular dynamics and replica-exchange simulations to investigate the folding of the GB1 hairpin peptide in aqueous solution. The results supported a cooperative zipper folding model and provided insights into the formation of hydrogen bonds and hydrophobic contacts during the folding process. Additionally, kinetic models constructed using the Optimal Dimensionality Reduction approach revealed the folding and unfolding times, as well as the formation of transition states and off-path intermediates.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2022)
Article
Biochemistry & Molecular Biology
Jose Villalain
Summary: Bioactive furanocoumarins, a group of natural secondary metabolites common in higher plants, have been shown to have numerous biological properties. This study used molecular dynamics simulations to investigate the interaction between bergamottin (BGM), a furanocoumarin, and the biological membrane. The results suggest that BGM tends to locate in the middle of the hydrocarbon layer of the membrane, interacts with membrane lipids, and increases the fluidity of the membrane. These findings contribute to the understanding of the bioactive properties of BGM and its potential as a therapeutic molecule.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2022)
Article
Biochemistry & Molecular Biology
Paulina Piller, Heimo Wolinski, Robert A. Cordfunke, Jan Wouter Drijfhout, Sandro Keller, Karl Lohner, Nermina Malanovic
Summary: The development of antimicrobial agents against multidrug-resistant bacteria is crucial in the medical field. This study found that SAAP-148, an antimicrobial peptide, showed higher efficiency in killing bacteria and had stronger effects on membranes at both cellular and molecular levels compared to OP-145.
Article
Biochemistry & Molecular Biology
Hana Kim, Young Do Yoo, Gi Young Lee
Summary: The misuse of antibiotics has led to the emergence of drug-resistant bacteria, rendering most antibiotics ineffective and increasing mortality rates among patients with bacteremia or sepsis. Antimicrobial peptides (AMPs) have been proposed as a solution, but many have reduced antimicrobial activity and cause hemolytic toxicity in blood. However, the optimized derivative AMPR-22 shows potential as a treatment for sepsis with broad antimicrobial activity and low hemolytic toxicity.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Chemistry, Physical
Elias Rafael de Sousa, Douglas Xavier de Andrade, Guilherme Colherinhas
Summary: In this study, a theoretical investigation of peptide membranes formed by the EF4K amino acid sequence was conducted. The results showed that the membrane structures exhibited stable packing of the -F4- group and strong interactions between the polar heads of the peptides, which are important for the generation of long structures.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Multidisciplinary
Ioanna Gkogka, Nicholas M. Glykos
Summary: In this study, a folding molecular dynamics simulation was performed to investigate the structural and dynamical properties of Peptide T. The simulation revealed that Peptide T is flexible and dynamic, with a preference for the formation of beta-turns. The results were validated by comparing with experimental NMR data, showing a reasonable agreement between experiment and simulation. This study demonstrates that peptide folding simulations can provide physically relevant structural characterization.
JOURNAL OF COMPUTATIONAL CHEMISTRY
(2022)
Review
Chemistry, Multidisciplinary
Siewert J. Marrink, Luca Monticelli, Manuel N. Melo, Riccardo Alessandri, D. Peter Tieleman, Paulo C. T. Souza
Summary: The Martini model is a coarse-grained force field for molecular dynamics simulations that has been developed and refined over nearly two decades. Its popularity stems from its systematic and intuitive building-block approach, as well as its open development and continuous validation. The model's easy implementation in the widely used Gromacs software suite has also contributed to its popularity.
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
(2023)
Article
Chemistry, Physical
Shikha Prakash, Anjali Krishna, Durba Sengupta
Summary: In this study, coarse-grain molecular dynamics simulations were used to analyze the specificity of protein-lipid interactions between cofilin-1 and complex lipid bilayers. The results showed that the maximum interactions occurred with phosphoinositide (PIP) lipids, particularly PIP2 and PIP3 lipids. Both electrostatics and geometry were found to be critical for the specificity of lipid binding.
Article
Chemistry, Medicinal
Cecile Hilpert, Louis Beranger, Paulo C. T. Souza, Petteri A. Vainikka, Vincent Nieto, Siewert J. Marrink, Luca Monticelli, Guillaume Launay
Summary: The MArtini Database (MAD) is a web server that facilitates the sharing of structures and topologies of molecules parametrized with the Martini coarse-grained (CG) force field. It offers tools to convert atomistic structures into CG structures, prepare complex systems for MD simulations, and generate input files for Martini 3. MAD is dedicated to providing CG models for various molecules, transforming protein structures, assembling biomolecules, and delivering files necessary for GROMACS MD simulations.
JOURNAL OF CHEMICAL INFORMATION AND MODELING
(2023)
Article
Chemistry, Physical
Petteri Vainikka, Siewert J. Marrink
Summary: Artificial molecular motors (MMs) and switches (MSs) can undergo unidirectional rotation or switching under appropriate stimuli, and are used in various complex and chemically diverse environments. To study the behavior and dynamics of these molecules in interaction with their environment, we have developed two coarse-grained (CG) models for MMs and one model for an oxindole-based MS. These models can be used in large simulations to analyze the ground state behavior of MMs and MSs for longer periods, and perturbation methods are proposed to approximate the response of these systems to MM rotation or MS switching.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
(2023)
Article
Chemistry, Physical
Maria Gabriella Chiariello, Fabian Grunewald, Rubi Zarmiento-Garcia, Siewert J. Marrink
Summary: The PsbS protein in photosystem II triggers the photoprotective mechanism in plants by sensing the acidification of the thylakoid lumen. Research shows that pH-induced structural changes in the lumen-exposed helices of the PsbS dimer provide an effective switch between its inactive and active forms, contributing to its dimerization propensity and the photoprotective mechanism.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Biophysics
Meina Ren, Lina Zhao, Ziyi Ma, Hailong An, Siewert Jan Marrink, Fude Sun
Summary: The association between CD44 and the N-terminal (FERM) domain of cytoskeleton adaptors is crucial for cell proliferation, migration, and signaling. Phosphorylation of the cytoplasmic domain (CTD) of CD44 regulates this association, with phosphorylation at S291 inhibiting complexation and phosphorylation at S325 promoting the CD44-FERM linkage. This phosphorylation-driven transformation is PIP2-dependent, with PIP2 affecting the stability of the closed and open conformation, and its replacement by POPS greatly reducing this effect.
BIOPHYSICAL JOURNAL
(2023)
Article
Biochemistry & Molecular Biology
Weria Pezeshkian, Fabian Grunewald, Oleksandr Narykov, Senbao Lu, Valeria Arkhipova, Alexey Solodovnikov, Tsjerk A. Wassenaar, Siewert J. Marrink, Dmitry Korkin
Summary: Despite efforts, the exact structure of SARS-CoV-2 and related betacoronaviruses remains unknown. This study developed a computational approach to model the envelope structure of SARS-CoV-2 with near atomistic detail and focused on the understudied M protein. Molecular dynamics simulations revealed the agglomeration of M dimers into large macromolecular assemblies with distinct patterns, in agreement with experimental data, demonstrating a versatile approach for de novo virus structure modeling.
Article
Multidisciplinary Sciences
Chancievan Thangaratnarajah, Mark Nijland, Luis Borges-Araujo, Aike Jeucken, Jan Rheinberger, Siewert J. J. Marrink, Paulo C. T. Souza, Cristina Paulino, Dirk J. J. Slotboom
Summary: The final step in the transport cycle of ECF transporters involves the expulsion of the substrate binding protein from the motor. The motor uses ATP binding to induce a shape change, allowing for the dissociation of the binding protein. This study provides insights into the chemo-mechanical coupling in the transport cycle of ECF transporters.
NATURE COMMUNICATIONS
(2023)
Article
Multidisciplinary Sciences
Apilaasha Tharmasothirajan, Josef Melcr, John Linney, Thomas Gensch, Karin Krumbach, Karla Marlen Ernst, Christopher Brasnett, Paola Poggi, Andrew R. Pitt, Alan D. Goddard, Alexandros Chatgilialoglu, Siewert J. Marrink, Jan Marienhagen
Summary: Microbial synthesis of plant polyphenols is a more environmentally friendly option compared to chemical synthesis or plant extraction. However, these polyphenols are usually toxic to microorganisms. This study investigates the accumulation of resveratrol in cell membrane and wall during production, and finds that the membrane rigidifying effect of resveratrol can be attenuated by adding palmitelaidic acid or linoleic acid, leading to increased production.
NATURE COMMUNICATIONS
(2023)
Article
Multidisciplinary Sciences
Adela Melcrova, Sourav Maity, Josef Melcr, Niels A. W. de Kok, Mariella Gabler, Jonne van der Eyden, Wenche Stensen, John S. M. Svendsen, Arnold J. M. Driessen, Siewert J. Marrink, Wouter H. Roos
Summary: This study investigates the mechanism of action of the antimicrobial cationic tripeptide AMC-109. It was found that AMC-109 self-assembles into stable aggregates with a cationic surface, and then inserts into the bacterial membrane disrupting membrane nanodomains, thus affecting membrane function without forming pores. The results suggest that AMC-109 is a peptide with enhanced selectivity for bacterial membranes.
NATURE COMMUNICATIONS
(2023)
Article
Chemistry, Physical
Hrushikesh Malshikare, Shikha Prakash, Durba Sengupta
Summary: Membrane topology changes are regulated by lipid composition and membrane-associated proteins. This study focused on investigating the coupling behavior between protein shape and membrane molecular properties using caveolin-1 as a curvature-inducing protein. The results revealed that membrane curvature and net stress between membrane leaflets are influenced by protein shape, with the wedge conformer showing the lowest curvature and the banana conformer showing the highest. Additionally, protein shape was found to modulate cholesterol and sphingomyelin clustering in the membrane.
Article
Chemistry, Physical
Maria Gabriella Chiariello, Fabian Gru, Rubi Zarmiento-Garcia, Siewert J. Marrink
Summary: The PsbS protein in plants triggers the photoprotective response by sensing the acidity of the thylakoid lumen. The structural changes induced by pH variations in the PsbS dimer play a crucial role in switching between its inactive and active forms, affecting the protein-protein interaction and dimerization propensity.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Nanoscience & Nanotechnology
Piotr Stepien, Sylwia Swiatek, Manuel Yamil Yusef Robles, Joanna Markiewicz-Mizera, Dhanasekaran Balakrishnan, Satomi Inaba-Inoue, Alex H. De Vries, Konstantinos Beis, Siewert J. Marrink, Jonathan G. Heddle
Summary: To engineer functional artificial cells, a convenient and controllable method to deliver membrane proteins into lipid bilayers is necessary. Researchers have developed a delivery system using nanodiscs carrying membrane proteins and calcium-dependent fusion of phosphatidylserine lipid membranes. By transiently increasing calcium concentration, efficient and rapid fusion of transported lipid bilayers with recipient vesicles can be achieved, while retaining the functionality of the membrane proteins.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Physical
Aadil Pinjari, Deepashri Saraf, Durba Sengupta
Summary: Understanding the molecular processes of nanowire self-assembly is crucial for designing and controlling nanoscale structures. In this study, we have used classical molecular dynamics simulations to analyze the formation of nanowires from phthalocyanine molecules, providing insights into the mechanisms and pathways of nanowire formation.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Petteri Vainikka, Siewert J. Marrink
Summary: Artificial molecular motors and switches are widely used in complex environments, and studying their behavior and dynamics as they interact with their environment is crucial. This article proposes parametrized models and perturbation methods, allowing for the study of these molecules in large simulations.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
(2023)
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)
