Results 81 to 90 of about 28,587,314 (277)

Targeting the PHB2–ACSL3 Lipid‐Remodeling Axis Overcomes Cisplatin Resistance by Restoring Ferroptosis in Gastric Cancer

Advanced Science, EarlyView.
ABSTRACT Platinum‐based chemotherapy resistance remains a major obstacle in gastric cancer (GC) treatment. Through integrated transcriptomic profiling of cisplatin‐resistant xenografts and pharmacogenomic interrogation of the NCI‐60 dataset, we identified Prohibitin‐2 (PHB2) as a previously unrecognized determinant of chemoresistance.
Liang Xu, Wanying Xiang, Xinyue Wang, Yue Pan, Jing Gao, Jiezhen Yang, Yufei Wang, Zhipu Zhu, Man Tong, Lei Jin, Yan Ye   +10 more
wiley   +1 more source

Repurposing FDA‐Approved Drugs to Inhibit Fungal PPTases for Broad‐Spectrum Synergy

Advanced Science, EarlyView.
Fungal secondary metabolites serve as crucial virulence effectors; however, the potential of their biosynthetic pathways as antifungal targets remains inadequately comprehended. Repurposed FDA‐approved drugs inhibit fungal PPTase (essential for secondary metabolism) in vivo.
Zili Song, Can Zhao, Qiaoling Wang, Hongjiao Zhang, Xiao Liu, Linqi Wang, Michael Bromley, Wen‐Bing Yin   +7 more
wiley   +1 more source

Macrophage RSAD2 Couples mtDNA Synthesis With a Self‐Amplifying Inflammatory Circuit to Orchestrate Tissue Repair

Advanced Science, EarlyView.
Macrophage RSAD2 dually regulates CMPK2—the rate‐limiting enzyme for mitochondrial DNA synthesis—by suppressing its ubiquitination and promoting its phosphorylation via Csnk2a2 recruitment. This amplifies mtDNA production, which simultaneously activates a cGAS‐STING‐IRF3‐RSAD2 feedforward loop and the NLRP3 inflammasome, driving a self‐sustaining ...
Haomiao Yuan, Shukui Du, Chunfei Li, Xinjie Li, Shuyang Mu, Anran Qu, Hengxu Yan, Chongchong Xu, Jinnong Yang, Jingkai Sun, Yijun Wang, Jiayang Xiao, Fuyuan Zhang, Linlin Wang, Tiegang Li, Rui Zhao, Dawei Guan   +16 more
wiley   +1 more source

Evaluation of different machine learning methods for ligand-based virtual screening [PDF]

Journal of Cheminformatics, 2011
In silico High Throughput Screening of large compound databases has become increasingly popular technology of finding valuable drug candidates, by applying a wide range of computational methods, such as machine learning [1]. In recent years, many comparative studies of different machine learning methods performance in ligand-based virtual screening ...
Kurczab R, Smusz S, Bojarski AJ
doaj   +2 more sources

A BSCB‐Penetrating Nanoplatform for Enhanced Luteolin Delivery in PRMT2‐Targeted Epigenetic Therapy of Spinal Cord Injury

Advanced Science, EarlyView.
In this work, MSN‐BO@LUT penetrates the blood‐spinal cord barrier for luteolin delivery in spinal cord injury. The nanodrug suppresses neuroinflammation and promotes functional recovery of the spinal cord. Mechanistically, luteolin targets protein arginine N‐methyltransferase (PRMT2) to decrease toll‐like receptor 4 (TLR4) methylation, thereby ...
Yixuan Wang, Bo Jin, Shipian Li, Qianxi Ouyang, Yu Xiao, Jiaxin Wen, Yehua Lai, Ping Wang, Yongjun Wang, Xuejun Cui, Weian Zhang, Min Yao   +11 more
wiley   +1 more source

Best of Both Worlds: On the Complementarity of Ligand-Based and Structure-Based Virtual Screening

, 2015
Virtual screening with docking is an integral component of drug design, particularly during hit finding phases. While successful prospective studies of virtual screening exist, it remains a significant challenge to identify best practices a priori due to
Fabio Broccatelli (1323972), Nathan Brown (421008)   +1 more
core   +1 more source

Chemotherapy‐Activated GSK3β‐DNMT1 Signaling Upregulates CD47 to Evade Macrophage Phagocytosis and Drive Temozolomide Resistance in Glioblastoma

Advanced Science, EarlyView.
Temozolomide treatment activates GSK3β, driving DNMT1 phosphorylation, destabilization, and CD47 promoter hypomethylation in glioblastoma. This epigenetic shift upregulates CD47, enabling TMZ‐treated GBM cells to evade macrophage phagocytosis, survive chemotherapy, and acquire resistance.
Jie Li, Shuai Ying, Yi Zhang, Jingjing Wang, Quan Wan, Lingli Gong, Daxing Xu, Zhenkun Yang, Hongnian Lu, Ying Yin, Xiangming Fang, Zhening Pu   +11 more
wiley   +1 more source

Discovery of a brain penetrant SGK1 inhibitor using a ligand- and structure-based virtual screening methodology

Journal of Enzyme Inhibition and Medicinal Chemistry
Serum and glucocorticoid-regulated kinase 1 (SGK1) is an underexplored kinase involved in several neurodegenerative diseases. Although SGK1 inhibitors are not available on the market, the absence of side effects in two SGK1 knockout mouse models supports
Enrique Madruga, Cecilia Sanchez-Santos, Ignacio Valenzuela-Martínez, David Ramírez, Carmen Gil, Ana Martínez   +5 more
doaj   +1 more source

The integration of pharmacophore-based 3D QSAR modeling and virtual screening in safety profiling: A case study to identify antagonistic activities against adenosine receptor, A2A, using 1,897 known drugs.

PLoS ONE, 2019
Safety pharmacology screening against a wide range of unintended vital targets using in vitro assays is crucial to understand off-target interactions with drug candidates.
Fan Fan, Dora Toledo Warshaviak, Hisham K Hamadeh, Robert T Dunn   +3 more
doaj   +1 more source

AARS1‐Mediated H3K27 Lactylation Rewires Glycolysis to Sustain Aggressive and Recurrent Bladder Cancer

Advanced Science, EarlyView.
AARS1 drives PI3K–AKT–mTOR‐dependent glycolysis in bladder cancer, promoting lactate accumulation, increased lactylation, H3K27la enrichment at the HK2 promoter, and HK2 transcription. HK2 reinforces glycolysis, sustaining a metabolic–epigenetic program associated with tumor progression, recurrence, and metastasis.
Qin Yuan, Tianbao Song, Yipeng He, Sihan Xia, Yaoqiu Huang, Wenlin He, Qin Yi, Zefeng Wang, Peihan Wang, Chenbo Huang, Linzhi Li, Zhen Yin, Fan Cheng, Weimin Yu   +13 more
wiley   +1 more source