Results 61 to 70 of about 11,524 (228)
Advanced Science, EarlyView.This study reveals a conserved half‐open active pocket in Fe(II)/α‐ketoglutarate‐dependent dioxygenases through protein structuromics, distinguished by structural features comprising highly flexible loop elements. Enhanced sampling simulations‐guided mutagenesis experiments elucidated how this flexible loop regulates pocket open/closed conformations ...
Lunjie Wu +10 more
wiley +1 more source
Advanced Science, EarlyView.Monovalent N‐acetylgalactosamine (GalNAc)‐modified polyrotaxane enables efficient liver targeting by utilizing ligand mobility. The sliding and rotating cyclic components i.e., cyclodextrin in the polyrotaxane dynamically cluster GalNAc moieties, thereby mimicking trivalent interactions with asialoglycoprotein receptors.
Toru Taharabaru +6 more
wiley +1 more source
Advanced Science, 2021 Dynamic and reversible assembly of molecules is ubiquitous in the hierarchical superstructures of living systems and plays a key role in cellular functions.
Alexandra N. Edelbrock +8 more
doaj +1 more source
Low prevalence of influenza A strains with resistance markers in Brazil during 2017–2019 seasons
Frontiers in Public Health, 2022 The influenza A virus (IAV) is of a major public health concern as it causes annual epidemics and has the potential to cause pandemics. At present, the neuraminidase inhibitors (NAIs) are the most widely used anti-influenza drugs, but, more recently, the
Thiago das Chagas Sousa +20 more
doaj +1 more source
Large‐Scale Machine Learning to Screen for Small‐Molecule Senolytics
Advanced Intelligent Discovery, EarlyView.A consistent workflow underpins all experiments in this study. A dedicated model‐selection dataset first identifies optimal hyperparameters for each algorithm. Models are then trained and rigorously evaluated on independent sets of molecules using the senolytic ratio SR. Comprehensive hyperparameter exploration across SMILES representations, task types,
Alexis Dougha +2 more
wiley +1 more source
Pharmaceutics, 2021 Hydroxamic acids are one of the most promising and actively studied classes of chemical compounds in medicinal chemistry. In this study, we describe the directed synthesis and effects of HDAC6 inhibitors.
Margarita Neganova +10 more
doaj +1 more source
, 2016 Crystallographic studies on three members of a novel class of cyclodepsipeptides, containing adamantane units in the cyclic framework, are described. While the 18-membered cyclo(Adm-Ser)2 (1) shows a simple structure with no internal hydrogen bonds, the ...
V. Haridas (102123) +2 more
core +1 more source
, 2021 Tetraarylmethanes and adamantanes are very rare examples of rigid, four-way, anionic connectors that play a scaffolding role in multiple areas of molecular and materials chemistry.
Joseph , Bedard +5 more
core +1 more source
Thermodynamic Properties of Adamantane Revisited
, 2016 The heat capacity and parameters of the solid-to-solid phase transition of adamantane were measured in the temperature range from 80 to 370 K by use of adiabatic calorimetry.
Vladimir N. Emel’yanenko (1290807) +6 more
core +1 more source
Adamantane-like Aluminum Amide-Phosphate from Alumazene
, 2016 A dealkylsilylation reaction between alumazene [2,6-(i-Pr)2C6H3NAlMe]3 (1) and tris(trimethylsilyl) ester of phosphoric acid (2) in a 1:3 molar ratio provides the heteroadamantane molecule (MeAl)[2,6-(i-Pr)2C6H3N]3{Al[OP(OSiMe3)3]}2(O3POSiMe3) (3 ...
Marek Necas (1825027) +4 more
core +2 more sources