Results 211 to 220 of about 33,351,014 (255)

In-silico identification and optimization of MMP-9 inhibitors for cerebral ischemia using structure based virtual screening, MD simulation, and binding free energy calculations. [PDF]

PLoS One
Zhang J, Zhang B, Feng H, Sheng C.
europepmc   +1 more source

EP300‐Mediated MTF1‐K218 Lactylation Buffers AR‐Driven Copper Overload to Suppress Cuproptosis in Castration‐Resistant Prostate Cancer

Advanced Science, EarlyView.
Androgen receptor (AR) drives copper accumulation in prostate cancer while inducing MTF1 to buffer copper toxicity. EP300‐mediated lactylation of MTF1 at K218 promotes its nuclear translocation and metallothionein expression, sequestering cytosolic copper and preventing mitochondrial cuproptosis.
Kai Li, Yong Wei, Yongshan Li, Yuxiang Dong, Jiancheng Lv, Mingzhi Yuan, Ao Shen, Fuyang Liu, Yetao Zhang, Youjian Li, Ruixi Yu, Yang Liu, Tong Zhao, Jun Wang, Kai Zhou, Zongyao Fan, Manning Wang, Jun Xu, Mulong Du, Min Gu, Bing Yao, Qingyi Zhu   +21 more
wiley   +1 more source

Identification of Plk1 type II inhibitors by structure-based virtual screening

Chemistry Central Journal, 2009
Spänkuch B, Schneider G, Proschak E, Keppner S   +3 more
doaj   +1 more source

Ligand-Based Pharmacophore Modeling and Structure-Based Virtual Screening for Identifying Potential Therapeutic Agents Targeting the SARS-CoV-2 Spike Protein-ACE2 Receptor Interaction. [PDF]

ChemMedChem
Delgado-Maldonado T, Vargas-Salas G, Bandyopadhyay D, Moreno-Rodríguez A, Ortiz-Pérez E, Rivera G.   +5 more
europepmc   +1 more source

Neuromorphic Devices and Computing for Sensing, Memory, and Control

Advanced Science, EarlyView.
This review introduces neuromorphic devices made from diverse materials. These devices mimic neuronal functions and architectures and, when integrated with artificial or biological computing, can form closed loops with neurons for pressure, optical, acoustic, and biochemical sensing and modulation.
Zhengguang Zhu, Nicholas Schaffer, Xiao Yang   +2 more
wiley   +1 more source

The Discovery of Small ERK5 Inhibitors via Structure-Based Virtual Screening, Biological Evaluation and MD Simulations. [PDF]

Molecules
Atatreh N, Mahgoub RE, Ghemrawi R, Sakkal M, Sammani N, Khair M, Ghattas MA.   +6 more
europepmc   +1 more source

Fusing Direct and Indirect Measurements Through Multi‐Fidelity Learning For Accelerated Electrocaloric Materials Discovery

Advanced Science, EarlyView.
A multi‐fidelity framework integrates sparse direct and abundant indirect electrocaloric measurements. Multi‐objective active learning accelerates BaTiO3‐based electrocaloric materials discovery at –70∘C$^{\circ }{\rm C}$. A diffuse transition enables an electrocaloric strength of 0.06×$\times$10−6 Km/V at –70℃ with an operational temperature span of ...
Bo Wang, Pengfei Dang, Yuan Tian, Zhengwang He, Wei Gu, Lixue Zhang, Turab Lookman, Yumei Zhou, Dezhen Xue   +8 more
wiley   +1 more source

<i>In silico</i> identification of potential inhibitors of Mycobacterium tuberculosis MmpS5L5 from the ReFRAME database: a structure-based virtual screening, molecular docking and molecular dynamics approach. [PDF]

Front Cell Infect Microbiol
Maina C, Murungi E, Kigondu E.
europepmc   +1 more source

Multi‐Omics Integration Identifies a CDH3‐Associated Malignant Epithelial State and Immunosuppressive Niche to Predict Prognosis in Thymic Epithelial Tumors

Advanced Science, EarlyView.
Single‐cell, spatial, molecular, and pathology analyses identify a CDH3‐associated malignant epithelial state in thymic epithelial tumors. This state links stem‐like and EMT programs to M2 macrophage–rich immunosuppressive niches, genomic instability, poor survival, and drug vulnerability.
Yuntao Feng, Jingyu Chen, Lang Xia, Tao Wang, Yuzhou Wang, Lei Zhang, Guofang Zhao, Long Xu, Juemin Yu, Yunlang She, Junqi Wu, Yue Zhao, Chang Chen, Deping Zhao   +13 more
wiley   +1 more source

TAB2 Causes Neuronal Damage by Aggravating Microglia‐Mediated Neuroinflammation in Parkinson's Disease

Advanced Science, EarlyView.
In microglia, STAT3 upregulates TAB2, which promotes NF‐κB activation through its NZF domain‐mediated recognition of K63‐linked ubiquitin chains, leading to inflammatory cytokine release and subsequent neuronal injury. Lumacaftor suppresses TAB2 expression and directly binds the TAB2‐NZF domain to interrupt K63 ubiquitin recognition, thereby blocking ...
Yanhao Zhao, Zimeng Huang, Jianing Gao, Aolan Li, Huizhi Wang, Yingchuan Chen, Guanyu Zhu, Xin Zhang, Yin Jiang, Moxuan Zhang, Fangang Meng, Jianguo Zhang, Tingting Du   +12 more
wiley   +1 more source