Results 221 to 230 of about 267,449 (298)

A Unified Hierarchical Multiscale Fusion Framework for Drug–Target Affinity Prediction: From Benchmark Performance to Nanomolar Inhibitor Discovery

Advanced Science, EarlyView.
A multimodal fusion framework integrating sequence, atomic, and fragment representations captures drug–target interactions across multiple scales. The model delivers strong predictive performance and enables efficient virtual screening. Applied to hematopoietic progenitor kinase 1 (HPK1), it identifies structurally diverse inhibitors with nanomolar ...
Shuo Liu, Xiang Zhang, Haixia Feng, Yuquan Li, Xiaoqing Gong, Yong Liang, Xiaojun Yao, Huanxiang Liu   +7 more
wiley   +1 more source

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 Hypervalent Iodine: From Synthetic Reagents to Dynamic ¹⁹F NMR Probes for Chiral Discrimination. [PDF]

JACS Au
Bao W, Weng J, Gu G, Zhang Z, Gu YC, Zhao Y.   +5 more
europepmc   +1 more source

Similarity‐Enhanced Representation Learning of Non‐Canonical Amino Acids for Therapeutic Peptide Modeling

Advanced Science, EarlyView.
Non‐canonical amino acids (ncAAs) enhance peptide therapeutics but remain difficult to model computationally. SinCAA, a similarity‐enhanced pretraining framework, jointly optimizes contrastive learning guided by a novel conformational similarity metric with masked node reconstruction, capturing both functional relationships and chemical identity of ...
Chencheng Xu, Lesong Wei, Jianmin Wang, Yuanpeng Xiong, Ruochi Zhang, Yu Wang, Chao Zha, Qiangcheng Zeng, Xin Gao   +8 more
wiley   +1 more source

Nematic and chiral superconductivity emerging within the loop-current phase in kagome metals. [PDF]

Nat Commun
Tazai R, Yamakawa Y, Kontani H.
europepmc   +1 more source

Micro/Nanoscale Acoustic Manipulation: From Particle Control to Autonomous Microswimmers

Advanced Science, EarlyView.
This conceptual framework illustrates acoustic technology as a multifunctional platform enabling passive particle manipulation across scales and autonomous propulsion of microswimmers. ABSTRACT Acoustic manipulation and propulsion technologies have emerged as powerful platforms for micro/nanoscale control, enabled by their non‐contact operation, label ...
Jiahui Chu, Lemin Zhang, Xu Wang, Wenzong Li, Yahua Liu   +4 more
wiley   +1 more source

Microchiral pinwheel arrays based on achiral molecules. [PDF]

Nat Commun
Han JY, Park WK, Noh B, Araoka F, Jeong S, Jhun BH, You Y, Park Y, Lee KJ, Heo JM, Yoon DK.   +10 more
europepmc   +1 more source

An Injectable Metal‐Drug Supramolecular Condensate Enables Radiosensitization and Systemic Antitumor Immunity for Post‐Surgical Osteosarcoma Therapy

Advanced Science, EarlyView.
This work designed an injectable metal‐drug supramolecular condensate formed from hafnium ions and alendronate (Hf‐ALN) and loaded with the COX‐2 inhibitor celecoxib (CXB) for synergistic radioimmunotherapy of postoperative osteosarcoma. Mechanistically, upon X‐ray irradiation, Hf enhances radiation energy deposition, ROS generation, and DNA damage ...
Tianhua Xiao, Zunlei Gong, Chuke Chen, Hui Yu, Yu Cai, Can Liu, Hongkai Huang, Ying Li, Jinyuan Guan, Le Wang, Chengyun Ning, Guoxin Tan, Lei Zhou   +12 more
wiley   +1 more source

Rapid Chiral Analysis of Drugs with Multiple Stereocenters via High-Resolution Ion Mobility. [PDF]

Anal Chem
Blakley BK, May JC, Guidolin V, Nguyen B, McLean JA.   +4 more
europepmc   +1 more source