Results 211 to 220 of about 511,020 (304)

<i>In silico</i> based exploration of natural and synthetic antidiabetic compounds: A comprehensive review of computational approaches. [PDF]

ADMET DMPK
Maulana AF, Sriwidodo S, Maksum IP, Rukayadi Y.   +3 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

Molecular embedding-based algorithm selection in protein-ligand docking. [PDF]

J Cheminform
Wang JB, Cao S, Wu H, Yuan Y, Mısır M.
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

Cancer‐Associated Fibroblast‐Derived Sphingosine‐1‐Phosphate Activates a MALL–SDC4 Axis to Facilitate Perineural Invasion in Pancreatic Cancer

Advanced Science, EarlyView.
CAF‐derived S1P activates the S1PR3‐JNK‐Jun signaling pathway, thereby transcriptionally upregulating MALL expression in cancer cells. MALL increases the cell‐surface abundance of SDC4 by promoting its recycling and restricting its lysosomal degradation, which in turn enhances RhoA‐p‐MLC2‐dependent amoeboid invasion and SDC4‐PTN axis‐mediated cancer ...
Wang Peng, Mengdie Cao, Hai Huang, Shuya Bai, Luyao Liu, Jingwen Liang, Haochen Cui, Qiaodan Zhou, Shiru Chen, Jiamei Jiang, Luoxia Liu, Zhou Luan, Wei Chen, Si Xiong, Ronghua Wang, Bin Cheng, Yuchong Zhao   +16 more
wiley   +1 more source

A multi-stage computational pipeline and <i>in vitro</i> validation for the discovery of small-molecule translation inhibitors targeting the bacterial ribosome. [PDF]

RSC Adv
Yuce M, Koman E, Sungur FA, Yazgan-Karatas A, Kurkcuoglu O.   +4 more
europepmc   +1 more source

T Cell‐Independent Role of PD‐L1 in Kidney Repair: Mitigation of Tubular DNA Damage via PD‐L1/BRCA1 Interaction Following AKI

Advanced Science, EarlyView.
PD‐L1 is primarily expressed in renal tubules and upregulated in both murine models of AKI and renal biopsy samples from patients with AKI. PD‐L1 can promote adaptive TECs repair through interacting with BRCA1, independent of its canonical immunomodulatory function of T cells, and PD‐L1 supplementation may represent a promising therapeutic strategy for
Wei Jiang, Tao‐Tao Tang, Wei‐Jie Ni, Jin‐Xuan Wei, Liang‐Yun‐Zi Jiang, Qing Yin, Yi‐Lin Zhang, Zuo‐Lin Li, Yi Wen, Xin‐Lu Wang, Jun‐Yuan Shen, Xiao‐Jun Ouyang, Ming‐Zhu Zheng, Jian Xu, Xiaofei An, Lin‐Li Lv, Bi‐Cheng Liu, Bin Wang   +17 more
wiley   +1 more source

In Silico Comparative Analysis of the Plant Growth Regulators Forchlorfenuron (CPPU) and Strigol (STG) Interacting with the Gibberellin Biosynthetic Enzyme GA3Ox2 and the Auxin Signaling Protein Receptor IAA7. [PDF]

Int J Mol Sci
Montaño GH, Nicolas Álvarez DE, Paredes Carrera SP, Romero De La Rosa BI, Mendoza Pérez JA.   +4 more
europepmc   +1 more source

NET‐DNA Activates the ANXA2/TMEM215/BiP Axis to Promote Mitophagy‐Mediated Anoikis Resistance in Endometriosis

Advanced Science, EarlyView.
NET‐DNA is enriched during early endometriotic lesion establishment and drives anoikis resistance by promoting an ANXA2–TMEM215–BiP axis. This pathway strengthens ER–mitochondria contacts, enhances PINK1/Parkin‐associated mitophagy, preserves mitochondrial homeostasis, and supports ectopic stromal cell survival, thereby facilitating lesion persistence ...
Honglin Wang, Yanling Gou, Huiyan Zhang, Hongli Wang, Beidi Wang, Jinming Liu, Yingying Cao, Ruru Bai, Yuxin Zhao, Xu Han, Chao Feng, Xin Huang, Zongfeng Zhang   +12 more
wiley   +1 more source

A Modified Paraspinal Approach for Full-Endoscopic Discectomy for Far Lateral Disc Herniations: Docking at the Caudal Level Transverse Process. [PDF]

J Orthop Case Rep
Datar GP, Nanjunda K.
europepmc   +1 more source