Results 191 to 200 of about 277,604 (297)

Network Toxicology and Molecular Docking Analysis of Targets and Potential Mechanisms of PEEK-Induced Bone Resorption. [PDF]

Int J Mol Sci
Hu Y, Zhang L, Liu Z, Lu C, Li H, Yu Q, Lü S, Liu L, Liu J.   +8 more
europepmc   +1 more source

Hyperlipidemia Aggravates Alveolar Bone Loss via Periodontal Ligament Stem Cell Ferroptosis Through GSK3β Dependent Ubiquitin‐Mediated NRF2 Degradation

Advanced Science, EarlyView.
Lipid metabolic stress triggers ferroptosis in PDLSCs through the GSK3β/NRF2 pathway, thereby aggravating periodontal bone loss. Upregulated GSK3β promotes NRF2 ubiquitination and proteasomal degradation via β‐TrCP, suppressing NRF2 nuclear translocation and antioxidant target expression.
Yuxiao Zhang, Xiangyao Wang, Yaxin Wu, Liping Liu, Gaoshaer Nuerlan, Ahsawle Ozathaley, Xiaorui Zhang, Jinping Wang, Bowen Yang, Jing Mao, Yan Liu, Shiqiang Gong   +11 more
wiley   +1 more source

Preparation, molecular docking, and biological evaluation of radioiodinated cefaclor for inflammation detection. [PDF]

BMC Pharmacol Toxicol
Hussien H, El Refaye MS, Aglan H, Challan SB, Khater SI.   +4 more
europepmc   +1 more source

Microbial Odorant Detection Guides Drosophila Parasitoids Seeking Hosts in Fermenting Fruits

Advanced Science, EarlyView.
Yeast microbes in fermenting fruits attract both host flies and their parasitoid wasps. Female Leptopilina boulardi detect yeast‐emitted ethyl esters via two olfactory receptors, LbouOR167 and LbouOR136. A conserved residue, Leu159, is critical for binding these compounds, enabling female wasps to locate host‐rich habitats.
Yueqi Lu, Lan Pang, Wenqi Shi, Ting Feng, Zhi Dong, Yifeng Sheng, Sicong Zhou, Longtao Yu, Hao Guo, Ying Wang, Jiani Chen, Jianhua Huang   +11 more
wiley   +1 more source

Synthesis, antioxidant and antimicrobial activities, molecular docking study of new pyrimidine derivatives. [PDF]

Sci Rep
Khalaf HS, El-Rashedy AA, Abd El-Gwaad AA, Fayed AA.   +3 more
europepmc   +1 more source

Discovery of a Potent Fluorescence Polarization Probe for Identifying USP1 Allosteric Inhibitors

Advanced Science, EarlyView.
This study presents the first ubiquitin‐specific protease 1 (USP1) allosteric fluoroprobe and fluorescence polarization assay, enabling the differentiation of allosteric and catalytic site inhibitors. Further, a novel class of tetrahydroisoquinoline‐based USP1 inhibitors is designed, with compound 14a (USP1 IC50 = 29.9 nM) showing strong selectivity ...
Jiawei Cheng, Peipei Wang, Pengfei Wang, Jiamin Wang, Baiyang Li, Daqing Fang, Jian He, Xiaobei Hu, Weijuan Kan, Yubo Zhou, Chunpu Li, Jia Li, Hong Liu   +12 more
wiley   +1 more source

Inhibition of acalabrutinib metabolism by finerenone and its molecular docking studies. [PDF]

Cell Biol Toxicol
Wang P, Fu H, Wu J, Li R, Cao L, Xu RA, Lin W.   +6 more
europepmc   +1 more source

Revisiting Target‐Aware de novo Molecular Generation with TarPass: Between Rational Design and Texas Sharpshooter

Advanced Science, EarlyView.
TarPass provides a rigorous benchmark for target‐aware de novo molecular generation by jointly evaluating protein‐ligand interactions, molecular plausibility, and drug‐likeness on 18 well‐studied targets. Results show that current models often fail to consistently surpass random baseline in target‐specific enrichment, while post hoc multi‐tier virtual ...
Rui Qin, Zijie Chen, Yurong Li, Meijing Fang, Longji Shen, Yilong Su, Odin Zhang, Qinghan Wang, Qun Su, Jike Wang, Tingjun Hou, Yu Kang   +11 more
wiley   +1 more source

CHARMM-GUI <i>Ligand Docker</i> for Molecular Docking with Various Docking Programs. [PDF]

J Chem Inf Model
Suh D, Kim G, Im W.
europepmc   +1 more source

Scalable Engineering of Bio‐Manufactured Extracellular Vesicles for Selective Delivery in Ovarian Cancer Patient‐Derived Models

Advanced Science, EarlyView.
Engineered extracellular vesicles displaying Ephrin‐B2 selectively target Ephrin‐B4–expressing ovarian cancer cells, enabling precise delivery in patient‐derived models. This scalable bio‐manufacturing platform reveals a versatile strategy to exploit Ephrin signaling for highly specific therapeutic payload delivery and motivates exploration of tailored
Nihar Godbole, Andrew Lai, Alexander Quinn, Marianne Gillard, Dominic Guanzon, Katherin Scholz‐Romero, Alexis Salas‐Burgos, Bastián Lillo Dapremont, Rohan Lourie, Naven Chetty, Richard Lobb, Kate Beecher, Amy E. McCart Reed, Kaltin Ferguson, Biao Sun, Yaowu He, John D. Hooper, Carlos Salomon   +17 more
wiley   +1 more source