Results 91 to 100 of about 28,587,314 (277)

Similarity‐Enhanced Representation Learning of Non‐Canonical Amino Acids for Therapeutic Peptide Modeling

Advanced Science, EarlyView.
Non‐canonical amino acids (ncAAs) enhance peptide therapeutics but remain difficult to model computationally. SinCAA, a similarity‐enhanced pretraining framework, jointly optimizes contrastive learning guided by a novel conformational similarity metric with masked node reconstruction, capturing both functional relationships and chemical identity of ...
Chencheng Xu, Lesong Wei, Jianmin Wang, Yuanpeng Xiong, Ruochi Zhang, Yu Wang, Chao Zha, Qiangcheng Zeng, Xin Gao   +8 more
wiley   +1 more source

Targeting LDHA Palmitoylation Sensitizes GBM to Chemoradiotherapy via Suppressing Palmitic Acid Induced Glycolytic Reprogramming

Advanced Science, EarlyView.
Mesenchymal GSCs preferentially uptake palmitic acid, thereby promoting ZDHHC12‐mediated LDHA palmitoylation. This modification enhances LDHA enzymatic activity, drives glycolytic reprogramming, and facilitates exosomal LDHA‐mediated TAM regulation.
Zijie Gao, Rongrong Zhao, Zheyuan Chen, Qingtong Wang, Huanyu Yang, Boyan Li, Yanhua Qi, Shulin Zhao, Jixing Zhao, Jiawei Qiu, Ziwen Pan, Zhe Han, Ruochuan Li, Huize Xia, Weijie Tang, Xing Guo, Ping Zhang, Hongyu Zhao, Xu Qian, Gang Li, Hao Xue   +20 more
wiley   +1 more source

Ligand-Based Virtual Screening Using Bayesian Inference Network and Reweighted Fragments

The Scientific World Journal, 2012
Many of the similarity-based virtual screening approaches assume that molecular fragments that are not related to the biological activity carry the same weight as the important ones.
Ali Ahmed, Ammar Abdo, Naomie Salim
doaj   +1 more source

Smart Bioinks for 4D Bioprinting: Requirements, Design, and Applications

Advanced Science, EarlyView.
Smart bioinks empower 4D‐bioprinted constructs to dynamically adapt and remodel in response to stimuli, effectively biomimicking native tissues. Artificial Intelligence (AI) and Machine Learning (ML) play a guiding role in their rational design by optimizing relevant properties.
Shangsi Chen, Jiahui Lai, Qiongjiao Zeng, Liangbin Zhou, Boguang Yang, Bin Zhang, Min Wang, Jiajing Zhou, Kieran Lau, Khoon S. Lim, Zhong Alan Li, Rocky S. Tuan   +11 more
wiley   +1 more source

The MoSR‐MoDde1 Regulatory Axis: A Novel Determinant of DMI Sensitivity and a Target for Sustainable Rice Blast Control

Advanced Science, EarlyView.
The transcription factor MoSR governs DMI fungicide sensitivity in Magnaporthe oryzae through dual regulation of ergosterol biosynthesis and the detoxification enzyme MoDde1. Targeting MoDde1 via a small‐molecule inhibitor or host‐induced gene silencing enhances DMI efficacy against rice blast, offering a sustainable disease management strategy ...
Fan‐Zhu Meng, Wen‐Kai Wei, Meng‐Yao Wu, Min‐Zheng Cai, Yu‐Fu Wang, Li Zhao, Shuai Meng, Liang‐Fen Yin, Guido Schnabel, Wei‐Xiao Yin, Chao‐Xi Luo   +10 more
wiley   +1 more source

Compound Abrus cantoniensis Extract Alleviates AFB1‐Induced Liver Injury by Regulating PI3K‐AKT Pathway and Gut Microbiota/Butyrate Metabolism

Advanced Science, EarlyView.
ACCE has a good alleviating effect on AFB1‐induced liver injury, and this alleviating effect is related to the PI3K‐AKT pathway regulated by ACCE and the butyrate metabolism of gut microbiota. ABSTRACT Aflatoxin B1 (AFB1) is a potent hepatotoxin commonly ingested through contaminated food. Abrus cantoniensis Hance, a traditional Chinese medicinal herb,
Hongjie Hu, Ming cheng, Shiqi Zheng, Huixin Liu, Xiaofang Wei, Wenwen Yang, Hongchun Yang, Liuyang Yuan, Li Jiang, Jie Chen, Linglong Zhao, Yanchao Guo, Hongbin Si   +12 more
wiley   +1 more source

Salvianolic Acid a Disrupts the HSP90α‐AKT‐PERK Ternary Complex to Alleviate Atherosclerosis by Activating Endoplasmic Reticulum Stress of Senescent Vascular Smooth Muscle Cells

Advanced Science, EarlyView.
Salvianolic acid A (SAA) selectively induces senescent vascular smooth muscle cell apoptosis, alleviating atherosclerosis. Mechanistically, SAA targets heat shock protein 90 alpha (HSP90α) to disrupt the protein inase B (AKT)‐PRKR‐Like Endoplasmic Reticulum Kinase (PERK) scaffold, driving ubiquitin‐proteasome‐dependent AKT degradation.
Xiuya Guan, Mengkai Lu, Xinhai Cui, Dawei Zhang, Lei Zhang, Lin Lin, Yuan Li, Yuanlong Hu, Chao Li   +8 more
wiley   +1 more source

Integrated Multi‐Omics Reveals Cellular States and Microenvironmental Remodeling in Coexisting DCIS and IDC

Advanced Science, EarlyView.
Coexisting DCIS and IDC samples are profiled using spatial transcriptomics, single‐cell RNA sequencing, and single‐cell DNA sequencing. Integrative multi‐omics analysis reveals distinct malignant epithelial and microenvironmental features between DCIS and IDC, which are further validated using Xenium and multiplex immunohistochemistry.
Ning Zhang, Tong Wan, Siyue Zhang, Yunzhen Jiang, Peng Su, Jixin Liu, Zhitong Chen, Jie Hao, Haoyu Wang, Bing Chen, Wenjing Zhao, Lijuan Wang, Tao Xing, Qihuang Zhang, Ulf Schmitz, Zhiyong Ding, Nicola Crosetto, Bingqiang Liu, Qifeng Yang   +18 more
wiley   +1 more source

Dual Compartmentalization of GSTA4 Suppresses Ferroptosis to Drive Antiandrogen Resistance in Prostate Cancer

Advanced Science, EarlyView.
The schematic diagram depicts a compartmentalized anti‐ferroptotic defense mechanism mediated by GSTA4. GSTA4 is upregulated and localizes to the cytoplasm in ENZR cells, where it detoxifies 4‐HNE via a non‐canonical GSH‐dependent pathway. Under oxidative stress, GSTA4 translocates to mitochondria, interacts with PGAM5, and blocks Drp1 Ser637 ...
Yong Luo, Wei Zhuang, Zean Li, Yiming Lai, Yongyi Ou, Dongquan Li, Shanhe Huang, Tianlong Luo, Jintao Hu, Bingliang Chen, Jianhan Fu, Tao Zhuo, Hankun Jiang, Yin Lu, Hai Huang, Kewei Xu, Shengmeng Peng, Qing Yuan   +17 more
wiley   +1 more source

Biochemical Characterization of MurF from Streptococcus pneumoniae and the Identification of a New MurF Inhibitor Through Ligand-based Virtual Screening

Acta Chimica Slovenica, 2013
MurF is an essential bacterial enzyme that is involved in the last intracellular stage of peptidoglycan biosynthesis, and therefore it has the potential to be exploited as a target for the development of new antibacterials.
Samo Turk, Martina Hrast, Izidor Sosič, Hélčne Barreteau, Dominique Mengin-Lecreulx, Didier Blanot, Stanislav Gobec   +6 more
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