Results 191 to 200 of about 380,898 (297)

Discovery of a novel Keap1 inhibitor for neurodegeneration through virtual screening and molecular dynamics simulations. [PDF]

PLoS One
Hasan MM, Mostaid MS, Bepari AK, Reza HM, Hossain M.   +4 more
europepmc   +1 more source

Protein Language Model‐Guided Engineering of a 2,3‐Butanediol Dehydrogenase for the Enantioselective Synthesis of Cyclic α‐Hydroxy Ketones

Advanced Science, EarlyView.
A (2R,3R)‐butanediol dehydrogenase from Bacillus subtilis (BsBDH) is engineered for the enantioselective synthesis of 2‐hydroxycyclohexanone. A PASS computational design strategy is proposed to enhance the thermostability of BsBDH. Moreover, ESM‐1v combined with ISM is utilized for enhancing and inverting its stereoselectivity.
Haote Ding, Ling Jiang, Yijia Song, Zhongji Pu, Lirong Yang, Haoran Yu   +5 more
wiley   +1 more source

Virtual screening of drugs against multiple targets of Alzheimer's disease. [PDF]

J Alzheimers Dis
Ben Zaken K, Mesfin S, Bloch N, Samson AO.   +3 more
europepmc   +1 more source

Lactylation‐Driven YTHDC1 Alleviates MASLD by Suppressing PTPN22‐Mediated Dephosphorylation of NLRP3

Advanced Science, EarlyView.
In MASLD, YTHDC1 undergoes increased lactylation and ubiquitination, reducing its expression. AARS1 mediates lactylation at lysine 565, while disrupted binding to LDHA further promotes lactylation, suppressing YTHDC1. This downregulation enhances PTPN22 mRNA stability, leading to NLRP3 dephosphorylation and activation, which exacerbates inflammation ...
Feng Zhang, Linghua Zeng, Kunkun Zou, Keying Lin, Fangting Yao, Jinglun Song, Shumeng Zhang, Hanshu Feng, Zhichao Yang, Chunlei Wang, Hongtao Diao, Xue Kong, Tengfei Pan, Joonki Kim, Tianqi Duo, Linqiang Li, Yu Bian   +16 more
wiley   +1 more source

Structure-Based Virtual Screening for KHK-A Inhibitors with Anti-Hepatocellular Carcinoma Activity. [PDF]

Pharmaceuticals (Basel)
Zhu JY, Han XY, Zhou ZY, Guo YY, Duan HT, Shen JJ, Xue ST.   +6 more
europepmc   +1 more source

Inhibition of SLC11A1‐Mediated Lysosomal Iron Accumulation in Microglia Promotes Repair Following White Matter Stroke

Advanced Science, EarlyView.
Genetic and pharmacological inhibition of SLC11A1 functioning as an H+/Fe2+ antiporter–mediated lysosomal iron accumulation in microglia promotes lysosomal lumen acidification, increases CTSD expression, enhances lysosomal myelin debris uptake and degradation, and promotes repair following white matter stroke. ABSTRACT White matter stroke (WMS) results
Lingling Qiu, Yajie Zhang, Yushi Tang, Hongli Hu, Ying Zhang, Junwen Xue, Hao Wang, Yecheng Wang, Chunfeng Liu, Jia Jia, Jian Cheng, Yongjun Cao   +11 more
wiley   +1 more source

From virtual screening to animal models: chlorhexidine and indinavir as promising anti-Zika drug candidates. [PDF]

Front Cell Infect Microbiol
Zhang HT, Peng ZY, Xiong JJ, Luo Y, Liu JH, Du YN, Hou YX, Deng SQ.   +7 more
europepmc   +1 more source

Consensus Formation and Change are Enhanced by Neutrality

Advanced Science, EarlyView.
Neutral agents are shown to enhance both the formation and overturning of consensus in collective decision‐making. A general mathematical model and experiments with locusts and humans reveal that neutrality enables robust consensus via simple interactions and accelerates consensus change by reducing effective population size.
Andrei Sontag, Janina A. Hoffmann, Tim Rogers, Christian A. Yates   +3 more
wiley   +1 more source

Fibrates Inhibit PLTP‐induced M2 Macrophage Infiltration and Increase the Sensitivity of Hepatocellular Carcinoma to ICIs

Advanced Science, EarlyView.
Phospholipid transfer protein(PLTP) plays a critical role in forming a complex with kinase A (AURKA) and P65. This interaction facilitates phosphorylation of P65 at Ser536, leading to the activation of the NF‐κB signaling pathway. Ultimately, this leads to the upregulation of downstream cytokines, including IL‐6, IL‐8, and CSF‐1, which promotes M2 ...
Xinyue Liang, Yaning Li, Jianxun Cai, Lisi Luo, Pengfei Yang, Yutong Chen, Jiancong Zhou, Yan Zeng, Jiaping Yu, Weiyu Zhang, Wenzheng Pang, Yufang Li, Chunhua Wen, Jian Li, Linjuan Zeng   +14 more
wiley   +1 more source

Machine Learning-Based Virtual Screening for the Identification of Novel CDK-9 Inhibitors. [PDF]

Biomolecules
Piazza L, Poles C, Bononi G, Granchi C, Di Stefano M, Poli G, Giordano A, Medugno A, Napolitano GM, Tuccinardi T, Alfano L.   +10 more
europepmc   +1 more source