Results 141 to 150 of about 119,327 (256)

Targeting UXS1‐Dependent Glucuronate Detoxification Potentiates Metformin's Anti‐Tumor Efficacy in Lung Adenocarcinoma

Advanced Science, EarlyView.
This study reveals that metformin promotes glucuronic acid metabolism in lung adenocarcinoma by activating UGDH S476 phosphorylation and enhancing the conversion of UDPG to UDPGA based on metabolomics analysis. Through compound virtual screening, it is found that plantainoside targeting UGDH downstream UXS1 leads to UDPGA toxicity accumulation ...
Qihai Sui, Zhencong Chen, Guangyao Shan, Zhengyang Hu, Xing Jin, Jiaqi Liang, Yanjun Yi, Jiacheng Yin, Haochun Shi, Xifei Jiang, Junjie Xi, Zongwu Lin, Cheng Zhan, Fenghao Sun, Wei Jiang   +14 more
wiley   +1 more source

Docking of millions: accelerating a million-scale virtual screening using deep learning. [PDF]

Brief Bioinform
Ha J, Lee J, Ko J, Shin WH.
europepmc   +1 more source

Consensus Formation and Change are Enhanced by Neutrality

Advanced Science, EarlyView.
Neutral agents are shown to enhance both the formation and overturning of consensus in collective decision‐making. A general mathematical model and experiments with locusts and humans reveal that neutrality enables robust consensus via simple interactions and accelerates consensus change by reducing effective population size.
Andrei Sontag, Janina A. Hoffmann, Tim Rogers, Christian A. Yates   +3 more
wiley   +1 more source

Virtual screening of compounds for the development of thyroid hormone analogues for potential application in cardiac regeneration. [PDF]

J Comput Aided Mol Des
de Oliveira Filho JA, Chaves EJF, Pascutti PG, de Morais Gomes ER.   +3 more
europepmc   +1 more source

Fibrates Inhibit PLTP‐induced M2 Macrophage Infiltration and Increase the Sensitivity of Hepatocellular Carcinoma to ICIs

Advanced Science, EarlyView.
Phospholipid transfer protein(PLTP) plays a critical role in forming a complex with kinase A (AURKA) and P65. This interaction facilitates phosphorylation of P65 at Ser536, leading to the activation of the NF‐κB signaling pathway. Ultimately, this leads to the upregulation of downstream cytokines, including IL‐6, IL‐8, and CSF‐1, which promotes M2 ...
Xinyue Liang, Yaning Li, Jianxun Cai, Lisi Luo, Pengfei Yang, Yutong Chen, Jiancong Zhou, Yan Zeng, Jiaping Yu, Weiyu Zhang, Wenzheng Pang, Yufang Li, Chunhua Wen, Jian Li, Linjuan Zeng   +14 more
wiley   +1 more source

In Situ X‐Ray Tomography and Acoustic Emission Monitoring of Damage Evolution in C/C‐SiC Composites Fabricated by Liquid Silicon Infiltration

Advanced Science, EarlyView.
This study investigates how the internal structure of fiber‐reinforced ceramic composites affects their resistance to damage. By combining 3D X‐ray imaging with acoustic emission monitoring during mechanical testing, it reveals how silicon distribution influences crack formation.
Yang Chen, Renato S. M. Almeida, Stefan Flauder, Guillaume Couégnat, Kamen Tushtev, Jürgen Horvath, Peter Wriggers, Kurosch Rezwan   +7 more
wiley   +1 more source

Distance-dependent: characterizing virtual screening datasets

Chemistry Central Journal, 2009
Baumann K, Rohrer SG, Anthes C
doaj   +1 more source

LiBRe: A Ligand-Aware Sequence-Based Binding Residue Prediction Model for Virtual Screening. [PDF]

J Chem Inf Model
Kang K, Kim M, Kim J, Sel S, Song G.
europepmc   +1 more source

PET Imaging of Cardiac Inflammation in Viral Myocarditis Using a DPP4‐Targeted Probe

Advanced Science, EarlyView.
This study describes a DPP4‐targeted PET probe for imaging myocardial inflammation by selectively targeting activated immune cells. Derived from the clinically approved small‐molecule inhibitor linagliptin, the probe demonstrates favorable biodistribution with specific cardiac uptake in myocarditis.
Wanhao Gao, Wenzhu Hu, Du Tang, Xinxin Liu, Kun Yu, Lixia Feng, Minyu Liao, Wang Lin, Wenqiang Zhu, Sanjay Rajagopalan, Xiaoli Lan, Jixin Zhong, Dao Wen Wang, Dawei Jiang, Xiaoquan Rao   +14 more
wiley   +1 more source

The discovery of monoamine oxidase inhibitors: virtual screening and in vitro inhibition potencies. [PDF]

J Comput Aided Mol Des
Shaw M, Petzer A, Crous C, Cloete TT, Petzer JP.   +4 more
europepmc   +1 more source