Results 171 to 180 of about 338,443 (309)

Deep docking, part 2: an amplified DDU platform for ultra-large virtual screening. [PDF]

Chem Sci
Pandey M, Sajed T, Semenov I, Zhang R, Ban F, Manskaia E, Ester M, Cherkasov A.   +7 more
europepmc   +1 more source

CTBPro: A Next‐Generation Cholera Toxin Subunit B‐Based Neuroanatomical Tracer With Superior Brightness, Stability, and Sensitivity for Enhanced Neural Circuit Mapping

Advanced Science, EarlyView.
CTBPro is a next‐generation cholera toxin B–based tracer engineered by fusing CTB to the ultra‐stable fluorescent protein mBaojin. Exhibiting markedly enhanced molar brightness, CTBPro enables high‐fidelity neuronal labeling across multiple administration routes.
Xinghua Quan, Yude Lou, Huiqi Xie, Yifei Wang, Yanzhe Zhang, Yiran Ge, Linhe Yang, Xiaoxuan Zhang, Qingmiao Zhou, Huaizong Shen, Longxing Cao, Xin Jin, Jie‐Min Jia   +12 more
wiley   +1 more source

Comparative Evaluation of Explicit Solvent Models for RNA-Ligand Docking. [PDF]

J Chem Inf Model
Almena Rodriguez L, Kersten C.
europepmc   +1 more source

Supercomputer Docking

Supercomputing Frontiers and Innovations, 2019
Alexey V. Sulimov, Danil C. Kutov, Vladimir B. Sulimov   +2 more
openaire   +1 more source

The Development and Pilot Clinical Study of CD147 Targeted Antagonistic Peptide Probe for Tumor Imaging

Advanced Science, EarlyView.
This study establishes [68Ga]Ga‐DOTA‐AP9 as a first‐in‐human CD147‐targeted PET tracer with favorable safety and specific tumor uptake. Tracer accumulation correlates with CD147 expression in patients, enabling noninvasive quantification of CD147‐positive malignancies.
Xiaokun Ma, Rui Guo, Dongfeng Niu, Yufei Song, Zhenyao Zhang, Xiangxi Meng, Lili Mao, Haifeng Huang, Hua Zhu, Zhi Yang, Teli Liu   +10 more
wiley   +1 more source

S100A14 in Tumor‐Derived EVs Targets PIAS3 to Reprogram Astrocytes and Induce Immunosuppressive Microenvironment Promoting Brain Metastasis and Germacrone Reversal Effect

Advanced Science, EarlyView.
This study identifies S100A14 in tumor‐derived exosomes as a key driver of brain metastasis. S100A14 targets PIAS3 in astrocytes, activating STAT3 signaling and promoting immunosuppressive MDSCs recruitment via chemokine secretion. Germacrone, a natural compound, binds S100A14 to disrupt this axis, effectively inhibiting brain metastasis with low ...
Qian Feng, Xia Yang, Lin An, Xue‐Yu Wang, Ming‐Rui Wang, Zhuo‐Hong Cai, Cai‐Jun Xie, Li‐Jun Qiao, You‐Bi Shen, Xi‐Min Liang, Rong Zhang, Cai‐Yan Wang, Zhong‐Qiu Liu, Rong‐Rong Zhang   +13 more
wiley   +1 more source

A NAMs-based framework for screening the endocrine-disrupting potential of plastic additives using cross-species molecular docking and <i>Caenorhabditis elegans</i>. [PDF]

Front Toxicol
Chong C, Kim D, Kang K, Choi J.
europepmc   +1 more source

ANKS1B in the Nucleus Accumbens Controls Escalated Cocaine Self‐Administration via Regulating CBP‐FoxO3 Complex

Advanced Science, EarlyView.
ANKS1B in the nucleus accumbens plays a critical role in the transition from controlled to escalated cocaine intake. Mechanistically, ANKS1B interacts with CBP to epigenetically suppress FoxO3 through H3K27 acetylation. The ANKS1B‐CBP‐FoxO3 signaling cascade presents a novel theraputic target for the treatment of cocaine addiction.
Liping Yang, Xiaoxuan Wu, Xuan Chen, Chao Peng, Zihang Li, Shumin Gao, Shiqiu Meng, Jing Dong, Dong Wu, Liying Lv, Ying Han, Yanxue Xue, Lin Lu, Jie Shi, Jianfeng Liu, Yan Sun   +15 more
wiley   +1 more source

Real-world bleeding risk and molecular interaction profiles of direct oral anticoagulants: a comparative study integrating clinical outcomes and <i>in silico</i> docking. [PDF]

Front Pharmacol
Onar LC, Guner E, Yilmaz I.
europepmc   +1 more source

Harnessing MDM2‐Mediated Targeted Degradation of Transcriptional and Epigenetic Machinery to Disrupt Oncogenic Addictions in Pediatric Sarcoma

Advanced Science, EarlyView.
MDM2 dependency in pediatric sarcomas is driven by a novel p53‐independent oncogenic cistrome alongside canonical p53 pathway suppression. This study introduces MDM2‐recruiting transcriptional and epigenetic machinery degraders (MDM2‐TEMADs) as a novel precision oncology modality.
Jiawei Zhou, Xian Guan, Nan Li, Ying Zhang, Long Xie, Xingze Huang, Zhipeng Zhu, Zhuolin Ren, Xiaoyan Yu, Hanjun Guo, Yuanfang Wu, Lin Ma, Suya Zheng, Jingyao Zhang, Jiyang Liu, Victor Kuanmin Lee, Wenhao Chen, H. Phillip Koeffler, Jinhu Wang, Xin Han, Ye Chen, Liang Xu   +21 more
wiley   +1 more source