Results 261 to 270 of about 410,977 (285)

Leveraging 3D Molecular Spatial Visual Information and Multi‐Perspective Representations for Drug Discovery

Advanced Science, EarlyView.
A deep learning framework called MolVisGNN is proposed to fuse 3D molecular visual information of drugs with multi‐source features, which proves the importance of 3D molecular visual information of drugs and the advancedness of this model in the field of drug discovery, and provides a reference for how to more comprehensively express small molecule ...
Zimai Zhang, Xi Zhou, Yujie Qi, Xiaobo Zhu, Xun Deng, Feng Tan, Yuan Huang, Lun Hu, Zhuhong You, Pengwei Hu   +9 more
wiley   +1 more source

Effect of temperature on structural properties and antibacterial performance of Fe-Co-Al@BTC MOF: A molecular docking and computational perspective. [PDF]

Sci Rep
Abdelnasser E, Fahim AM, Alaraj AM, Abdelfatah M, El-Shaer A.   +4 more
europepmc   +1 more source

Microglial Fkbp5 Impairs Post‐Stroke Vascular Integrity and Regeneration by Promoting Yap1‐Mediated Glycolysis and Oxidative Phosphorylation

Advanced Science, EarlyView.
A post‐stroke perivascular niche of microglia characterized by low expression of M2 markers and elevated glycolysis, oxidative phosphorylation (OXPHOS), and phagocytic activity is identified, which is termed stroke‐activated vascular‐associated microglia (stroke‐VAM).
Yanan Li, Yanmei Qiu, Yunlei Yang, Yanhao Wei, Haokun Peng, Longhai Zeng, Pengcheng Li, Rentang Bi, Bo Hu   +8 more
wiley   +1 more source

Mechanism of Shenghua decoction in the treatment of primary dysmenorrhea based on network pharmacology and molecular docking analysis technology. [PDF]

Medicine (Baltimore)
Gu Y, Chen S, Wu S, Xiong L, Li L, Pu Z.
europepmc   +1 more source

Folic Acid‐Modified Ginger‐Derived Exosome‐Like Nanoparticles Co‐Delivering Sunitinib Suppress Renal Cell Carcinoma via PI3K‐Akt Pathway Inhibition, P‐gp Downregulation, and Macrophage Reprogramming

Advanced Science, EarlyView.
FPD‐GELNs co‐deliver Su and bioactive components. This active‐passive dual‐targeting strategy suppresses the progression of RCC through the following mechanisms: 1) inhibition of the PI3K‐Akt signaling pathway; 2) downregulation of ABCB1/P‐gp to enhance the chemosensitivity of RCC to Su; and 3) reprogramming of macrophages toward M1 polarization and ...
Haoyu Xu, Daixing Hu, Shixue Liu, Lei Yang, Junwu Li, Yuanyuan Bai, Guozhi Zhao, Wei Tang, Li Jiang   +8 more
wiley   +1 more source

Unraveling the Obesogenic Mechanism of Bisphenol A Through Network Toxicology and Molecular Docking: Identification of Key Molecular Targets. [PDF]

Int J Mol Sci
Zhang R, Zhao M, Wen H, Lin Z, Zhou X.
europepmc   +1 more source

The Crosstalk Between CRL5 and APC/C E3 Ligases Regulates Metastasis and Chemosensitivity of Cancer Cells

Advanced Science, EarlyView.
This study uncovers a previously unknown crosstalk between two major ubiquitin ligases, CRL5 and APC/C. The authors identify APC11 as a binding partner of CUL5, showing that their interaction regulates neddylation, substrate stability, and mitotic progression.
Danrui Cui, Ruirui Qu, Tianqi Li, Linchen Wang, Xiaoyu Chen, Shengpeng Shao, Xue Liang, Jun Xu, Yi Sun, Xiufang Xiong, Yongchao Zhao   +10 more
wiley   +1 more source

Biological evaluation and molecular Docking studies of the prepared chalcone derivatives as potential anti-Alzheimer agents. [PDF]

Sci Rep
Agbo EN, Maluleke BK, Gildenhuys S, Leboho TC, Nxumalo W.   +4 more
europepmc   +1 more source

Based on Gc-Ms Analysis, Network Pharmacology, Molecular Docking, and in Vitro and in Vivo Experimental Verification, this Study Investigates the Active Ingredients and Potential Mechanisms of Peony Seed Blended Oil in the Treatment of Diabetes

Tiantian Sun, Zirui Chang, Yuntao JIN, Fengliang Zhong, Yuning Gu   +4 more
openalex   +1 more source

TRIM38 Suppresses Breast Cancer Progression via Modulating SQSTM1 Ubiquitination and Autophagic Flux

Advanced Science, EarlyView.
TRIM38, an E3 ubiquitin ligase, suppresses breast cancer progression by inhibiting proliferation, migration, and invasion. Downregulated in breast tumor, its loss correlates with poor prognosis. Mechanistically, TRIM38 mediates K63‐linked ubiquitination of SQSTM1/p62 at K420, disrupting SQSTM1‐LC3 interaction and blocking autophagic flux.
Shan Jiang, Lijuan Wang, Dianwen Han, Peng Su, Bing Chen, Wenjing Zhao, Tong Chen, Ning Zhang, Xiaolong Wang, Yiran Liang, Yaming Li, Chen Li, Xi Chen, Dan Luo, Qifeng Yang   +14 more
wiley   +1 more source