Results 331 to 340 of about 4,190,416 (396)

Identification of a Novel Substrate for eEF2K and the AURKA‐SOX8 as the Related Pathway in TNBC

Advanced Science, Volume 12, Issue 14, April 10, 2025.
This study reports that eukaryotic elongation factor 2 kinase (eEF2K) is a key regulator in promoting the progression of triple‐negative breast cancer (TNBC). Mechanistically, the authors identified AURKA as a novel substrate for eEF2K. In addition, the authors developed a new small molecule compound C4, which acts as a molecular glue for eEF2K and can
Xiaoya Wan, Rong Gong, Xiaobao Zhao, Yizhi Li, Tianjiao Shan, Changxin Zhong, Rongfeng Zhu, Zonglin Chen, Shilong Jiang, Linhao He, Shijun Cao, Sheng Tian, Jinming Yang, Na Ye, Wenjun Yi, Yan Cheng   +15 more
wiley   +1 more source

Enhancement of bioactivity and molecular docking analysis of bioglass loaded zein and sodium alginate composite beads for biomedical applications. [PDF]

Sci Rep
Desoky AA, Ereiba KT, Bakr AM, Abdraboh AS.   +3 more
europepmc   +1 more source

A Multi‐Task Self‐Supervised Strategy for Predicting Molecular Properties and FGFR1 Inhibitors

Advanced Science, Volume 12, Issue 13, April 3, 2025.
The overview of MTSSMol during pretraining. Initially, data augmentation techniques are applied to the raw input data to create various enhanced versions. These images are then fed into GNNs to extract latent features. Finally, the augmented data is utilized for two learning tasks. b.
Xin Yang, Yang Wang, Ye Lin, Mingxuan Zhang, Ou Liu, Jianwei Shuai, Qi Zhao   +6 more
wiley   +1 more source

Uncovering the anti-cancer mechanism of cucurbitacin D against colorectal cancer through network pharmacology and molecular docking. [PDF]

Discov Oncol
Lim HI, Kim GY, Choi YJ, Lee K, Ko SG.
europepmc   +1 more source

Squamocin Suppresses Tumor Growth through Triggering an Endoplasmic Reticulum Stress‐Associated Degradation of EZH2/MYC Axis

Advanced Science, Volume 12, Issue 15, April 17, 2025.
Squamocin disrupts mitochondrial respiratory Complex I function, reduces ATP production, and impairs HSP90α function, provoking endoplasmic reticulum (ER) stress and the unfolded protein response (UPR) in multiple cancer tumor models cell lines and in vivo tumor models.
Yin Zhu, Yurui Liu, Xiangtao Wang, Zhifeng Chen, Baojian Chen, Bingxin Hu, Tiane Tang, Haoran Cheng, Xinglong Liu, Yunshan Ning   +9 more
wiley   +1 more source

To explore the mechanism of Xinnaomaikang granule in the treatment of carotid atherosclerosis based on network pharmacology and molecular docking. [PDF]

Medicine (Baltimore)
Li D, Pang M.
europepmc   +1 more source

A Compound Screen Based on Isogenic hESC‐Derived β Cell Reveals an Inhibitor Targeting ZnT8‐Mediated Zinc Transportation to Protect Pancreatic β Cell from Stress‐Induced Cell Death

Advanced Science, EarlyView.
Pancreatic β cell loss by cellular stress contributes to diabetes pathogenesis. The study demonstrates that WFS1–ZnT8–zinc axis regulates vicious cycle of zinc transportation and cellular stress in pancreatic β cell. Based on that, the study applies a strategy for compound screening targeting ZnT8 based on human models, and identifies anisomycin, as a ...
Rui Hu, Qing Ma, Yunhui Kong, Zhaoyue Wang, Minglu Xu, Xiangyi Chen, Yajuan Su, Tinghui Xiao, Qing He, Xuan Wang, Wenjun Xu, Yiling Yang, Xushu Wang, Xiaobo Li, Yanfang Liu, Shuangshuang Chen, Rui Zhao, Meng Guo, Gaowei Wang, Weida Li   +19 more
wiley   +1 more source

Antifungal activity and biocompatibility assessment with molecular docking and dynamic simulations of new pyrazole derivatives. [PDF]

BMC Biotechnol
Abd-Elhalim BT, El-Bana GG, El-Sayed AF, Abdel-Ghani GE.   +3 more
europepmc   +1 more source

Molecular Docking in Halogen Bonding

, 2018
Mario Valle-Sánchez, Luis Chacón-García, Abel Suárez-Castro, Carlos J. Cortes-García   +3 more
openaire   +3 more sources

Structural Insights into the Substrate Recognition of Ginsenoside Glycosyltransferase Pq3‐O‐UGT2

Advanced Science, Volume 12, Issue 11, March 20, 2025.
This work reveals the crystal structures of Pq3‐O‐UGT2 with its substrates (Rh2 or F2), unveiling an Nα5‐oriented binding pocket and unique linker conformation. Hydrophobic interactions are crucial for substrate recognition, while hydrogen bonds enhance specificity for F2. This study enhances the understanding of ginsenoside UGTs' substrate recognition
Qiushuang Ji, Yirong Liu, Huanyu Zhang, Yan Gao, Yixin Ding, Yuanyuan Ding, Jing Xie, Jianyu Zhang, Xinghua Jin, Bin Lai, Cheng Chen, Juan Wang, Wenyuan Gao, Kunrong Mei   +13 more
wiley   +1 more source