Results 111 to 120 of about 99,734 (259)
Uncovering Key Characteristics of Antibacterial Peptides through Machine Learning
Macromolecular Rapid Communications, EarlyView.Machine‐learning (ML) techniques using random forest classification models revealed key characteristics that predict effective antimicrobial peptides (AMPs) targeting Gram‐negative bacteria, Gram‐positive bacteria, and mycobacteria. The ideal cLogP (<$ < $−6) and net‐charge (≤+4) threshold was the same for all three targets with variations in the ...
Jooyoung Roh +2 more
wiley +1 more source
Protein glycosylation in lung cancer from a mass spectrometry perspective
Mass Spectrometry Reviews, EarlyView.Abstract Lung cancer is a severe disease for which better diagnostic and therapeutic approaches are urgently needed. Increasing evidence implies that aberrant protein glycosylation plays a crucial role in the pathogenesis and progression of lung cancer.
Mirjam Balbisi +2 more
wiley +1 more source
Mass spectrometry imaging of N‐linked glycans: Fundamentals and recent advances
Mass Spectrometry Reviews, EarlyView.Abstract With implications in several medical conditions, N‐linked glycosylation is one of the most important posttranslation modifications present in all living organisms. Due to their nontemplate synthesis, glycan structures are extraordinarily complex and require multiple analytical techniques for complete structural elucidation.
Tana V. Palomino, David C. Muddiman
wiley +1 more source
Advancements in Mass Spectrometry‐Based Glycomics in Food and Nutritional Science
Mass Spectrometry Reviews, EarlyView.ABSTRACT This review highlights advancements in mass spectrometry (MS)‐based glycomics in food and nutritional science. Carbohydrates, which are vital for human health, exhibit complex structures, making their analysis challenging. MS has become an indispensable tool for elucidating the structures of carbohydrates, including glycans, through soft ...
JaeHui Song +3 more
wiley +1 more source
ChemistryOpen, EarlyView.New pyrido[2,3‐d]azolopyrimidinones were synthesized and evaluated as potent EGFR‐targeted anticancer leads. Molecular docking and cytotoxicity studies revealed strong receptor binding and submicromolar activity, highlighting this scaffold as a promising framework for future targeted drug development.
Sobhi M. Gomha +6 more
wiley +1 more source
Structural Analysis and Inhibitor Modeling of Bacterioferritin From Brucella abortus
Proteins: Structure, Function, and Bioinformatics, EarlyView.ABSTRACT Iron homeostasis in various pathogenic bacteria is regulated by bacterioferritins (Bfr) which function to store Fe3+ and release Fe2+ as needed for metabolic processes. The Bfr structure consists of 18 kDa subunits in which dimer pairs bind a heme molecule and are assembled into a highly symmetrical 24‐meric spherical structure with an ...
Lijun Liu +9 more
wiley +1 more source
Rapid Communications in Mass Spectrometry, EarlyView.ABSTRACT Rationale Recent advances in high‐throughput molecular analyses of collagen peptides, especially ZooMS (Zooarchaeology by Mass Spectrometry), have permitted breakthroughs in the analysis of archaeological material that is highly fragmented, a factor that hinders morphological identification.
Pauline Raymond +8 more
wiley +1 more source
Gold Nanocluster-Amino Acid Interactions: Assessment of DFTB with Dispersion Corrections. [PDF]
ACS OmegaMorehouse J +3 more
europepmc +1 more source
Small, EarlyView.A tri‐specific scaffold cell (TriSC) platform is engineered to enable programmable, reversible, and multiplex surface assembly through orthogonal and spontaneous coiled‐coil interactions. Independent targeting and therapeutic nanobodies are modularly recruited onto bacterial surfaces, allowing tunable combinatorial functionality.
Yong Joon Cho +3 more
wiley +1 more source