Results 111 to 120 of about 10,255 (211)

Diffusion‐Based Generative Model With Scaffold‐Hopping Strategy Yields Highly Potent Bioactive Molecules

open access: yesAdvanced Science, EarlyView.
SMarT‐Diff introduces a multi‐objective generative paradigm that integrates scaffold hopping with structure‐aware scoring to enable controlled exploration beyond the training distribution. The framework consistently balances drug‐likeness, synthesizes accessibility and bioactivity, yielding chemically diverse candidates with enhanced properties.
Yuwei Yang   +8 more
wiley   +1 more source

Targeting ANGPTL3 and IL‐33/ST2 Ameliorates Diabetic Kidney Disease by Reducing Lipotoxicity, Alleviating Inflammation and Inhibiting Fibrosis

open access: yesAdvanced Science, EarlyView.
Dual targeting of ANGPTL3 and IL‐33/ST2 attenuates diabetic kidney disease by reprogramming lipid–inflammatory crosstalk. This strategy reduces renal lipotoxicity, suppresses inflammatory activation, and limits fibrotic remodeling, thereby preserving kidney structure and function and highlighting a mechanism‐guided therapeutic approach for metabolic ...
Zhuojin Li   +8 more
wiley   +1 more source

Transoral robotic surgery in head and neck cancer: an umbrella review of meta-analyses. [PDF]

open access: yesInt J Surg
Shen CL   +11 more
europepmc   +1 more source

NFYB Integrates Hormonal Signals into Tissue Allometry by Promoting Protein Biosynthesis

open access: yesAdvanced Science, EarlyView.
In the American cockroach, NFYB acts as a spatiotemporin that translates distinct hormonal cues into tissue‐specific allometry. Juvenile hormone activates NFYB in the early fat body, while 20‐hydroxyecdysone induces it in late wing pads. NFYB then promotes protein biosynthesis via core translational machinery, driving differential growth across the ...
Fangfang Liu   +11 more
wiley   +1 more source

Efficacy and safety of flow diverters in small intracranial aneurysms: a systematic review and single-arm meta-analysis. [PDF]

open access: yesFront Neurol
Maimaitiaili K   +11 more
europepmc   +1 more source

Topology‐Aware Deep Learning on Higher‐Order Structures for Drug Response Prediction

open access: yesAdvanced Science, EarlyView.
We present TopDr, a topology‐aware deep learning framework that encodes both drugs and cell lines as multiscale simplicial complexes, capturing interactions at the 0‐, 1‐, and 2‐simplex levels. By jointly integrating local higher‐order neighborhoods and global topological structures, TopDr generates enriched representations for sensitivity prediction ...
Cong Shen   +3 more
wiley   +1 more source

Protein Structuromics Reveals a Loop‐Controlled Half‐Open Active Pocket Conformation Throughout Fe(II)/α‐ketoglutarate‐Dependent Dioxygenase Catalytic Cycle

open access: yesAdvanced 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

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