Results 181 to 190 of about 28,587,314 (277)
Artificial intelligence‐assisted nanozyme design for medical and environmental applications
Journal of Intelligent Medicine, EarlyView.AI‐assisted nanozyme design integrates cross‐source data and machine learning to enable predictive structure‐activity relationships, accelerating intelligent diagnostics, precision therapeutics, and environmental surveillance. Abstract Nanozymes, a class of nanomaterials with intrinsic enzyme‐like catalytic activities, have emerged as promising ...
Xiaolin Guo +7 more
wiley +1 more source
Mass Spectrometry Reviews, EarlyView.ABSTRACT The use of MALDI mass spectrometry for the analysis of carbohydrates and glycoconjugates is a well‐established technique and this comprehensive review is the twelfth update of the original article published in 1999 and brings coverage of the literature to the end of 2024.
David J. Harvey
wiley +1 more source
Boronic Acid Inhibitors of β‐Lactamases: A Promising Strategy Against Antimicrobial Resistance
Medicinal Research Reviews, EarlyView.ABSTRACT The rise of antimicrobial resistance (AMR) poses a critical threat to global health, mostly due to the proliferation of β‐lactamases, a class of enzymes responsible for the inactivation of β‐lactam antibiotics. Among the most promising strategies to restore β‐lactam efficacy is the use of β‐lactamase inhibitors (BLIs), with boronic acid ...
Nicolò Santi +4 more
wiley +1 more source
Ligand-Based Virtual Screening Using Graph Edit Distance as Molecular Similarity Measure. [PDF]
J Chem Inf Model, 2019 Garcia-Hernandez C +2 more
europepmc +1 more source
Medicinal Research Reviews, EarlyView.ABSTRACT Natural products (NPs) have historically yielded numerous therapeutic agents, yet their integration into modern drug discovery has been constrained by chemical complexity, low abundance, laborious dereplication, and limited target annotation.
Antonio Lavecchia
wiley +1 more source
QEX: target-specific druglikeness filter enhances ligand-based virtual screening. [PDF]
Mol Divers, 2019 Mochizuki M +4 more
europepmc +1 more source
AI‐Driven Rational Design of Nanotherapeutics for Pancreatic Ductal Adenocarcinoma
Medicinal Research Reviews, EarlyView.ABSTRACT Pancreatic ductal adenocarcinoma (PDAC) remains a formidable malignancy characterized by late diagnosis, high recurrence rates, and pronounced chemoresistance. While nanoparticle‐based drug delivery systems (NDDS) offer theoretical advantages over conventional therapies, their clinical translation in PDAC has been severely limited.
Seohyun Choo +4 more
wiley +1 more source
Proteins: Structure, Function, and Bioinformatics, EarlyView.ABSTRACT Protein Tyrosine Phosphatases (PTPs) regulate cellular signaling by balancing phosphotyrosine levels through a conserved WPD‐loop that switches between open (inactive) and closed (active) conformations. While this conformational change is crucial for catalysis, the structural factors governing this motion remain poorly understood.
Colin L. Welsh, Lalima K. Madan
wiley +1 more source
A Structure- and Ligand-Based Virtual Screening of a Database of "Small" Marine Natural Products for the Identification of "Blue" Sigma-2 Receptor Ligands. [PDF]
Mar Drugs, 2018 Floresta G +6 more
europepmc +1 more source
Proteins: Structure, Function, and Bioinformatics, EarlyView.ABSTRACT Allosteric communication is fundamental to the function of proteins, but identifying the residue‐level pathways through which signals travel and their directionality is still a major challenge. Here we present a multi‐metric information‐theoretic framework that identifies candidate allosteric communication pathways from a single protein ...
Aysima Hacisuleyman, Dirk Fasshauer
wiley +1 more source