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Artificial intelligence: Unexpected results

Recent study by University of Bonn researchers reveals that machine learning models in drug discovery research are not as effective as thought, relying heavily on memorized data. The findings suggest that AI applications in this field are overrated and should be supplemented with chemical knowledge and simpler methods.

SourceUniversity of Bonn·JournalNature Machine Intelligence·TypeComputational simulation/modeling·DateNov 13, 2023

The molecular basis of ventilator-induced diaphragm weakness

Mitochondrial fragmentation is a key mechanism underlying ventilator-induced diaphragm dysfunction (VIDD), leading to excessive reactive oxygen species production and calcium homeostasis impairment. Blocking mitochondrial fission at the initiation of mechanical ventilation with a molecule like P110 could potentially prevent VIDD.

SourcePNAS Nexus·JournalPNAS Nexus·DateNov 7, 2023

Revealing structural secrets of a key cancer protein

Scientists have discovered two 'switch' regions in the structure of the K-Ras protein that are affected by dangerous mutations. These regions, located near a protein loop, can amplify cell division and lead to cancer. Researchers say their findings provide new insights into the mechanisms of these mutations and potential drug targets.

SourceOhio State University·JournalNature Structural & Molecular Biology·DateOct 18, 2023

Mays Cancer Center: Targeting certain molecular interactions could yield new strategies for treating prostate cancer

Scientists at Mays Cancer Center found that altering androgen receptor multivalent interactions may lead to new treatments for prostate cancer. The study suggests that precise levels of these interactions are crucial for proper hormone-induced gene expression.

SourceUniversity of Texas Health Science Center at San Antonio·JournalMolecular Cell·TypeExperimental study·DateOct 5, 2023

Tiny CRISPR tool could help shred viruses

Rice University scientists developed a tiny CRISPR-Cas13 system to shred viruses by targeting RNA. The system's unique mechanism and three-dimensional structure were mapped using cryo-electron microscopy, allowing researchers to engineer it for improved precision and specificity.

SourceRice University·JournalNature Communications·TypeExperimental study·DateSep 27, 2023

Switching off the cytokine storm

Researchers at EMBL Grenoble have obtained the first structure of p38α being activated by MKK6, opening up new directions for developing drugs to stop cytokine storms. The inflammatory response is triggered by a series of kinases, and inactivating p38α could prevent inflammation from occurring.

SourceEuropean Molecular Biology Laboratory·JournalScience·TypeExperimental study·DateSep 14, 2023

Specialized T cells in the brain slow progression of Alzheimer’s disease

Researchers at St. Jude Children's Research Hospital discovered a subset of immune cells that slows Alzheimer's disease progression by interacting with microglia. The cells, called CD8+ T cells, use a molecular handshake to signal to the microglia to stop causing uncontrolled inflammation, which in turn slows plaque growth and symptoms.

SourceSt. Jude Children's Research Hospital·JournalNature Immunology·DateSep 7, 2023

Growing evidence supporting the protein leverage hypothesis

The protein leverage hypothesis proposes that a decrease in protein intake due to modern diets drives increased energy consumption. Research supports this idea, showing how protein appetite interacts with processed foods and life stage changes to increase the risk of obesity.

SourceUniversity of Sydney·JournalPhilosophical Transactions of the Royal Society B Biological Sciences·DateSep 3, 2023

Like beads on a chain

A team of researchers developed a computational simulation that explains key mechanism of DNA segregation, providing new insights into the distribution of genetic information during bacterial cell division. The study reveals fundamental biochemical principles relevant to synthetic biology and medical applications.

SourceMax-Planck-Gesellschaft·JournalNature Communications·TypeComputational simulation/modeling·DateAug 14, 2023

How the hospital pathogen Acinetobacter baumannii quickly adapts to new environmental conditions

Researchers find that Acinetobacter baumannii can achieve significant functional modifications in protein complexes over short evolutionary time spans, particularly in hair-like cell appendages. This diversity may affect the pathogen's interaction with its environment and inform personalized therapies.

SourceGoethe University Frankfurt·JournalPLOS Genetics·TypeComputational simulation/modeling·DateAug 4, 2023

Novel Raman technique breaks through 50 years of frustration

A novel Raman technique called thermostable-Raman-interaction-profiling (TRIP) allows for label-free and highly reproducible Raman spectroscopy measurements, breaking a 50-year-old challenge. The TRIP method enables the detection of protein-ligand interactions in real-time, potentially shortening drug and vaccine testing timelines.

SourceTexas A&M University·JournalProceedings of the National Academy of Sciences·DateJul 28, 2023

Structural biology: Molecular scissors caught in the act

Researchers have successfully visualized the three-dimensional structure of human tRNA splicing endonuclease TSEN, a crucial enzyme in tRNA maturation. The study reveals how TSEN recognizes and excises introns from precursor tRNAs, shedding light on its role in neurodegenerative disorders like pontocerebellar hypoplasia.

SourceGoethe University Frankfurt·JournalNature Structural & Molecular Biology·TypeExperimental study·DateJul 13, 2023

Complexity is a barrier to horizontal gene transfer

Researchers investigated factors influencing horizontal gene transfer (HGT) in bacteria, finding that divergence and protein connectivity interact to limit its success. The study supports the Complexity Hypothesis, suggesting that newly transferred genes struggle to engage in normal protein-protein interactions.

SourceSMBE Journals (Molecular Biology and Evolution and Genome Biology and Evolution)·JournalGenome Biology and Evolution·TypeData/statistical analysis·DateJun 16, 2023

Blocking immune system 'messenger' may treat severe asthma

Researchers found that blocking histamine-releasing factor (HRF) and immunoglobulin E (IgE) interactions may provide relief for patients with severe asthma. The study, published in The Journal of Allergy and Clinical Immunology, suggests two potential therapies, including HRF-2CA and a therapeutic antibody called SPF7-1.

SourceLa Jolla Institute for Immunology·JournalJournal of Allergy and Clinical Immunology·TypeExperimental study·DateJun 12, 2023

New technique enables in-vivo analysis of protein complexes

A new glycosidic-bond-based mass-spectrometry-cleavable cross-linker has been developed to improve data analysis throughput and identification accuracy of cross-linking information. This technique enables in-vivo cross-linking of protein complexes in live cells, achieving large-scale and precise analysis of 1,453 proteins.

SourceDalian Institute of Chemical Physics, Chinese Academy Sciences·JournalAngewandte Chemie International Edition·TypeCommentary/editorial·DateMay 8, 2023

Engineering molecular interactions with machine learning

Researchers at EPFL have computationally designed novel protein binders that attach seamlessly to key targets, including the SARS-CoV-2 spike protein, using deep learning-generated 'fingerprints' to characterize millions of protein fragments. This method demonstrates therapeutic potential for rapidly designing protein-based therapeutics.

SourceEcole Polytechnique Fédérale de Lausanne·JournalNature·TypeComputational simulation/modeling·DateMay 4, 2023

Wiggly proteins guard the genome

Researchers have discovered that nuclear pore IDPs form a dynamic barrier that allows essential cellular factors to pass while blocking viruses and pathogens. The team used synthetic biology, multidimensional fluorescence microscopy, and computer-based simulations to study IDPs in living cells.

SourceMax-Planck-Gesellschaft·JournalNature·TypeComputational simulation/modeling·DateMay 2, 2023

A twisted cell-cell adhesion molecule complex structure revealed by single-molecule fluorescence microscopy and high-speed atomic force microscopy

Researchers have elucidated the mechanism of CELSR cadherin dimerization, revealing a twisted cell-cell adhesion molecule complex structure. The extracellular domains of CELSR cadherins exhibited strand- and globule-like portions, which bound through strand-like structures in an antiparallel orientation.

SourceNational Institutes of Natural Sciences·JournalProceedings of the National Academy of Sciences·TypeExperimental study·DateApr 24, 2023

Mount Sinai researchers discover novel receptors for SARS-CoV-2 and their age-dependent expression, providing new insights for public health

Researchers identified potential novel receptors for SARS-CoV-2 that utilize multiple receptors to facilitate its life cycle. The study reveals a strong correlation between tissue age-dependency and SARS-CoV-2 infection-induced receptor expression, with older adults being more susceptible to severe outcomes.

Blind dating in bacteria evolution

Researchers used ancestral sequence reconstruction to study protein interactions in cyanobacteria, finding that they can evolve independently of direct selection pressure. The discovery challenges classical evolutionary theory and suggests that fortuitous compatibility may be the basis for a significant fraction of cellular interactions.

SourceMax-Planck-Gesellschaft·JournalNature Ecology & Evolution·TypeObservational study·DateApr 6, 2023

CycPeptMPDB: A database aimed at promoting drug design using cyclic peptides

A novel database, CycPeptMPDB, has been created to facilitate the development of drugs based on cyclic peptides. The database contains information on thousands of cyclic peptides and their membrane permeability values, enabling researchers to select candidate peptides that can penetrate human cell membranes.

SourceTokyo Institute of Technology·JournalJournal of Chemical Information and Modeling·TypeComputational simulation/modeling·DateApr 5, 2023

Calcium sensor helps us to see the stars

Researchers from PSI deciphered the structure of an ion channel found in the eye while interacting with calmodulin, a protein that enables cell response to calcium fluctuations. This interaction is believed to be responsible for achieving remarkable sensitivity to dim light.

SourcePaul Scherrer Institute·JournalProceedings of the National Academy of Sciences·TypeExperimental study·DateApr 3, 2023