Results 161 to 170 of about 141,734 (283)

A novel method for drug-target affinity prediction by integrating predicted evolutionary information and multi-scale protein graphs. [PDF]

BMC Biol
Jiang M, Hang H, Cui Z, Feng J, Pang W, Ma T, Zhang Z, Fan Y, Pang S, Zhou W, Zhang Y.   +10 more
europepmc   +1 more source

A Microbial Lipid‐ATP Synthase Axis Fuels NK Cell Antitumor Activity

Advanced Science, EarlyView.
This study focuses on the mechanism by which gut microbiota‐derived outer membrane vesicles (OMVs) regulate NK cell antitumor activity. B. intestinalis is identified to decrease extra‐intestinal tumor growth via its OMVs enriched in sphingosine (SP).
Kaiyuan Yu, Xinyu Sun, Wanxia Ma, Jianming Yang, Xuan Sun, Lisong Zhang, Yumeng Liu, Tianshu Ren, Qi Wang, Jingyu Wang, Xiao Li, Xianping Peng, Liu Yang, Junqiang Lv, Zhi Yao, Zhi‐Song Zhang, Quan Wang   +16 more
wiley   +1 more source

SMT-DTA: Improving Drug-Target Affinity Prediction with Semi-supervised Multi-task Training

arXiv.org, 2022
Qizhi Pei, Lijun Wu, Jinhua Zhu, Yingce Xia, Shufang Xie, Tao Qin, Haiguang Liu, Tie-Yan Liu   +7 more
semanticscholar   +1 more source

MSN-DTA: A multi-scale node adaptive graph neural network for interpretable drug-target binding affinity prediction

Predicting drug-target affinity (DTA) is crucial in drug discovery and drug repositioning research. Graph neural networks (GNN) have been widely applied in this field.
Gao, Xin, Yu, Xu, Zhu, Yongxin, Yu, Bin, Ding, Pengju, Wang, Jianxin   +5 more
core   +1 more source

A Review on Catalytic Nanostructured Electrodes for Wearable and Implantable Abiotic Glucose Fuel Cells

Advanced Science, EarlyView.
This review identifies current and future directions in abiotic nanostructured catalysts to develop reliable and sustainable glucose fuel cells to power the next generation of bioelectronic devices. ABSTRACT The global rise in incidence of chronic diseases has led to the demand for innovative solutions that help patients manage their conditions with ...
Asghar Niyazi, Hannah S. Leese, Benjamin Metcalfe, Mirella Di Lorenzo   +3 more
wiley   +1 more source

Disruption of Treg Homeostasis in Rheumatoid Arthritis via Ferroptosis‐Mediated ETC Collapse and TXK‐STAT3/PLCγ1 Activation

Advanced Science, EarlyView.
In rheumatoid arthritis, synovial Tregs accumulate but are functionally impaired due to iron overload‐induced ferroptosis. This triggers mitochondrial dysfunction and TXK tyrosine kinase‐mediated signaling, leading to Treg destabilization and inflammation.
Jingrong Chen, Xiao Guan, Kexu Xiong, Xiaoyi Shi, Luyao Wu, Chuanxin Su, Jun Zhao, Rongzhen Liang, Huimin Wang, Junlong Dang, Ye Chen, Yiding Xiong, Chi Zhou, Futao Zhao, Zhenhang Zhu, Xiaoli Fan, Li Zhou, Nancy Olsen, Yutong Jiang, Song Guo Zheng   +19 more
wiley   +1 more source

CS-DTA: a language model-driven framework for robust drug-target affinity prediction under strict cold-start scenarios. [PDF]

Front Chem
Jiang Z, Dai H, Chen Y, Qiao B, Sun S.
europepmc   +1 more source

Full‐Body AI Agent: A Perspective on Multi‐Scale Collaborative AI for Systemic Biology and Precision Medicine

Advanced Science, EarlyView.
We propose the Full‐Body AI Agent, a multi‐scale collaborative framework with 7 biological‐layer agents. It unifies multi‐omics/clinical data via standardized protocols, enabling phenotype‐guided closed‐loop reasoning, quantitative evaluation, and LLM safeguards, with promising applications in tumor metastasis modeling and precision drug development ...
Aoqi Wang, Jiajia Liu, Jianguo Wen, Yangyang Luo, Zhiwei Fan, Liren Yang, Xi Hu, Ruihan Luo, Yankai Yu, Sophia Li, Weiling Zhao, Xiaobo Zhou   +11 more
wiley   +1 more source

MixingDTA: improved drug-target affinity prediction by extending mixup with guilt-by-association. [PDF]

Bioinformatics
Kim Y, Bang D, Koo B, Yi J, Cho C, Choi J, Kim S.   +6 more
europepmc   +1 more source

Drug-Target Binding Affinity Prediction With Graph-Based Models: The Impact of 3D Structural Information

Drug–target affinity (DTA) prediction is a critical step in accelerating drug discovery and reducing its associated costs. Existing computational approaches often employ one-dimensional protein sequences or two-dimensional molecular graphs, which can ...
Peredo, Angel Antonio
core