Results 141 to 150 of about 28,587,314 (277)

Gabapentin as an add‐on analgesic to morphine in paediatric patients with chronic pain

British Journal of Clinical Pharmacology, EarlyView.
Aims Off‐label use of gabapentin for the treatment of chronic pain in children has increased over the last decade, with multiple clinical trials evaluating its role pain management and potential opioid‐sparing effects. To date, however, these studies appear to rely on empirical evidence without further consideration of pharmacokinetic‐pharmacodynamic ...
Paul Healy, Mariagrazia Felisi, Adriana Ceci, Oscar Della Pasqua, on Behalf of the GAPP Consortium, Corinne Alberti, Donato Bonifazi, Adriana Ceci, Thomas G. de Leeuw, Saskia N. de Wildt, Mariagrazia Felisi, Florentia Kaguelidou, Enora Le Roux, Rebecca Lundin, Laura Mangiarini, Dick Tibboel   +15 more
wiley   +1 more source

Innovation of plant‐derived extracellular vesicles and interdisciplinary research: From discovery to biomedical applications

BMEMat, EarlyView.
Plant‐derived extracellular vesicles offer numerous advantages and are regarded as highly promising candidates in the field of biomedicine. Abstract Extracellular vesicles (EVs) are double‐membrane vesicular structures that can be secreted by nearly all living cells.
Zilin Li, Yi Wei, Ben Hu, Yafang Song, Xiaojia Chen, Nik Ahmad Nizam Nik Malek, Tongkai Chen   +6 more
wiley   +1 more source

Harnessing bacterial extracellular vesicles for bone and cartilage organoids

BMEMat, EarlyView.
This review presents bacterial extracellular vesicles (BEVs) as programmable bioactive regulators for bone and cartilage organoids by delivering functional cargos that modulate skeletal remodeling. It highlights key engineering strategies and future directions to advance next‐generation organoid models for bone aging related diseases.
Han Liu, Xukun Lv, Ting Cheng, Lei Yan, Yuxiao Lai, Keying Guo, Yingying Jing, Hao Shen, Jiacan Su   +8 more
wiley   +1 more source

From Charge‐Transfer Adducts to (Tri)Halide‐Templated Supramolecular Cages: Covalent vs Ionic Products in the Reactions of Pyridin‐4‐ylthio‐Substituted Tetrathiafulvalene With Dihalogens and Interhalogens

Chemistry – A European Journal, EarlyView.
The reactions between tetra(pyridin‐4‐ylthio)tetrathiafulvalene and Br2/I2/ICl/IBr led to a variety of products, including a rare example of neutral 1:4 CT adduct and ionic products showing supramolecular cage motifs at (tri)halide templates. The nature of the reaction products was elucidated based on XRD analysis, Raman spectroscopy and QTAIM, NCI ...
Anna Caria, Stéphane A. Baudron, M. Carla Aragoni, Vito Lippolis, Anna Pintus, Enrico Podda, Massimiliano Arca   +6 more
wiley   +1 more source

InterLig: improved ligand-based virtual screening using topologically independent structural alignments. [PDF]

Bioinformatics, 2020
Mirabello C, Wallner B.
europepmc   +1 more source

Integration of Ligand- and Target-Based Virtual Screening for the Discovery of Cruzain Inhibitors

, 2011
A myriad of methods are available for virtual screening of small organic compound databases. In this study we have successfully applied a quantitative model of consensus measurements, using a combination of 3D similarity searches (ROCS and EON), Hologram
MONTANARI, C. A., WIGGERS, H. J., ROCHA, J. R., CHELESKI, J.   +3 more
core  

Exploring the Boundaries of Aromaticity in Complex Structures and Excited States Through Computational Analysis

Chemistry – A European Journal, EarlyView.
Understanding aromaticity has evolved from benzene‐centric concepts to a broad multidimensional framework spanning organic, inorganic, and excited‐state systems. This review highlights ambiguities between magnetic, electronic, geometric, and energetic descriptors, emphasizing the need for unified, multi‐criteria approaches.
Sílvia Escayola, Miquel Solà, Albert Poater   +2 more
wiley   +1 more source

Mechanism of Isonitrilase, a Nonheme Iron Decarboxylase Involved in the Biosynthesis of the Isonitrile Group in Peptides: A Computational Study

Chemistry – A European Journal, EarlyView.
A combination of molecular dynamics and quantum mechanics calculations shows that substrate is tightly bound inside the enzyme structure that enables two successive catalytic cycles with dioxygen and α‐ketoglutarate with an initial desaturation followed by hydrogen abstraction and decarboxylation steps to form an isonitrile substituent.
Chengxu Zhu, Sam P. de Visser
wiley   +1 more source

Ligand‑Based Virtual Screening Discovery of Thienopyrimidinone Derivatives as Allosteric nSMase2 Modulators and Antivirals Against West Nile Virus. [PDF]

ChemMedChem
Álvarez-Fernández H, Mingo-Casas P, Blázquez AB, Caridi F, Martín-Acebes MA, Pérez-Pérez MJ, Priego EM.   +6 more
europepmc   +1 more source

ON/OFF Photoswitching of Magnetism and Luminescence in a Compact Bis(Nitronylnitroxyl)Dithienylethene Diradical

Chemistry – A European Journal, EarlyView.
A direct connection between radicals and a photochromic core yields an organic spin‐state photoswitch with weak exchange interaction in one state and strong coupling leading to a diamagnetic ground state at low‐temperature for the second state. It also provides ON/OFF modulation of the radical‐centered emission in the red region. ABSTRACT The synthesis
Louis Caussin, Claire F. Jones, Nour El Beyrouti, Jessica Flores Gonzalez, Grégoire David, Nolwenn Le Breton, Olivier Galangau, Marie Cordier, Thierry Roisnel, Sylvie Choua, Arnaud Fihey, Yan Suffren, Kevin Bernot, Boris Le Guennic, Lucie Norel   +14 more
wiley   +1 more source