Results 211 to 220 of about 159,394 (268)

Multimodal out-of-distribution individual uncertainty quantification enhances binding affinity prediction for polypharmacology. [PDF]

Nat Mach Intell
Badkul A, Xie L, Zhang S, Xie L.
europepmc   +1 more source

UBE2T‐Driven p53 Degradation Rewires Glycolysis to Orchestrate Lactylation‐Mediated CAFs Activation and ECM Deposition in Pancreatic Cancer

Advanced Science, EarlyView.
This study integrates multi‐omics to reveal the critical role of UBE2T in driving malignancy and stromal co‐evolution in PDAC. UBE2T potentiates glycolysis by regulating p53 degradation via a positive feedback loop, thereby promoting histone H3 lysine 18 lactylation in CAFs and stromal deposition. The UBE2T inhibitor PGG represents a potential strategy
Yong Ma, Wenbo Liu, Mingdou Li, Tao Wang, Bin Zhao, Keshen Wang, Qichen He, Haonan Sun, Huiguo Qing, Xiaoying Guan, Wengui Shi, Long Qin, Yuman Dong, Huinian Zhou, Zeyuan Yu, Xiangyan Jiang, Zuoyi Jiao   +16 more
wiley   +1 more source

Chloroplast Stress Signals Orchestrate Epidermis‐Specific Remodeling of Mitochondria and ER Under High Light

Advanced Science, EarlyView.
High light exposure triggers an epidermis‐specific remodeling of mitochondria and ER in Arabidopsis, driven by chloroplast‐derived signals. Live‐cell imaging shows that HL rapidly suppresses mitochondrial motility, followed by fusion‐driven elongation and ER cisternal expansion.
Evan R. Angelos, Hee‐Seung Choi, Jingzhe Guo, Andrea A. Zanini, Tessa M. Burch‐Smith, Emily Snyder, Matthew Part, Wilhelmina van de Ven, Manhoi Hur, Gerd Ulrich Balcke, Alain Tissier, Quanqing Zhang, Katayoon Dehesh   +12 more
wiley   +1 more source

Hybrid Dual-Context Prompted Cross-Attention Framework with Language Model Guidance for Multi-Label Prediction of Human Off-Target Ligand-Protein Interactions. [PDF]

Int J Mol Sci
Abdullah, Fatima Z, Ather MA, Chanona-Hernandez L, Rodríguez JLO.   +4 more
europepmc   +1 more source

Discovery of SKP2‐Recruiting PROTACs for Target Protein Degradation

Advanced Science, EarlyView.
Based on the SKP2‐targeting ligand SL1, we designed non‐covalent PROTACs by linking it with the BRD4 inhibitor JQ1 and the AR antagonist AL through a linker. These PROTACs successfully induced the ubiquitination of BRD4 and AR, followed by proteasome‐mediated degradation.
Guanjun Dong, Aima Huang, Ziqing Zhao, Bikai Lai, Xin Pan, Huiyu Yang, Xiaohan Xu, Tianwei Wang, Fangchen Zhao, Zhimin Zhang, Yongbo Xue, Guanjun Deng, Wenbin Deng, Jianwei Chen   +13 more
wiley   +1 more source

<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

Phase Separation of NFIB Suppresses SLC3A2‐Mediated Ferroptosis in Castration‐Resistant Prostate Cancer

Advanced Science, EarlyView.
Castration‐resistant prostate cancer (CRPC) remains sensitive to ferroptosis, but its intrinsic resistance is poorly understood. Here, we identify NFIB as a master suppressor. SIRT7‐mediated NFIB acetylation drives its liquid–liquid phase separation, which promotes SLC3A2 transcription to inhibit ferroptosis.
Qiunuo Li, Danyang Chen, Yongzhen Xia, Yili Long, Nan Huang, Rongna Li, Mengting Shi, Mairehaba Kadier, Huafeng Luo, Xiaohui Chen, Hao Liu, Guanmin Jiang   +11 more
wiley   +1 more source

Machine learning for drug-target interaction prediction: A comprehensive review of models, challenges, and computational strategies. [PDF]

Comput Struct Biotechnol J
Ahmad B, Ouahada K, Hamam H.
europepmc   +1 more source

Exploring imidazo[1,2-a]pyridine hybrids in cancer therapy: ADMET profiling, molecular docking, MD simulations and DFT calculations. [PDF]

Sci Rep
Shah D, Nagani A, Shah M, Patel A.
europepmc   +1 more source

Gene Expression, Docking and Machine Learning in Malaria Drug Discovery: A Systematic Review. [PDF]

Biochem Res Int
Dangana RS, Ebhohimen IE, Malgwi SA, Ugbaja SC, Okpeku M.   +4 more
europepmc   +1 more source