Results 111 to 120 of about 46,324 (245)

Hederagenin Attenuates Morphine Addiction via GABAA1‐Mediated Modulation of Ca2+–CaMK–CREB Signaling in Ventral Tegmental Dopaminergic Neurons

Advanced Science, EarlyView.
Hederagenin is identified as a GABAA1‐targeting natural compound that suppresses morphine‐associated reward by restraining Ca2+–CaMK–cAMP–CREB signaling in ventral tegmental dopaminergic neurons. RVG29‐modified liposomal delivery further enhances brain accumulation and behavioral efficacy, providing a mechanistically defined strategy for natural ...
Hongyang Jiang, Ziting Zhou, Nannan Xue, Jiasi Deng, Yuanyuan Zhou, Xinying Lv, Yuxuan Wang, Yi Zhang, Haotian Pan, Geyan Xu, Yinkun Tao, Mengran Li, Xin Cui, Hongyue Ma, Qian Wang, Zhigang Lu   +15 more
wiley   +1 more source

ROS/pH‐Responsive Phenylboronic Acid–Chitosan Nanoparticles Improve Silymarin‐Mediated Hepatoprotection After Hepatectomy With Gut‐Liver Axis‐Associated Responses

Advanced Science, EarlyView.
Bioactive phenylboronic acid–chitosan nanoparticles enable responsive silymarin delivery for post‐hepatectomy liver protection. The nanoplatform integrates antioxidant and antibacterial functions, improves hepatic recovery, and is associated with coordinated shifts in gut microbiota, metabolites, cytokines, and hepatic proteomic pathways, suggesting a ...
Jinjin Tong, Chaochao Luo, Zezheng Liu, Xinyan Zhang, Daixu Jia, Yang Sun, Zhaonan Zhang, Haoran Shi, Jianfang Wang, Hua Zhang   +9 more
wiley   +1 more source

High-Throughput, High-Quality: Benchmarking GNINA and AutoDock Vina for Precision Virtual Screening Workflow

Molecules
Drug discovery is an intricate and resource-intensive process in which computational approaches, such as molecular docking, are essential, particularly in the early stages, to identify potential hits.
Rocco Buccheri, Antonio Rescifina
doaj   +1 more source

Compound Abrus cantoniensis Extract Alleviates AFB1‐Induced Liver Injury by Regulating PI3K‐AKT Pathway and Gut Microbiota/Butyrate Metabolism

Advanced Science, EarlyView.
ACCE has a good alleviating effect on AFB1‐induced liver injury, and this alleviating effect is related to the PI3K‐AKT pathway regulated by ACCE and the butyrate metabolism of gut microbiota. ABSTRACT Aflatoxin B1 (AFB1) is a potent hepatotoxin commonly ingested through contaminated food. Abrus cantoniensis Hance, a traditional Chinese medicinal herb,
Hongjie Hu, Ming cheng, Shiqi Zheng, Huixin Liu, Xiaofang Wei, Wenwen Yang, Hongchun Yang, Liuyang Yuan, Li Jiang, Jie Chen, Linglong Zhao, Yanchao Guo, Hongbin Si   +12 more
wiley   +1 more source

Molecular Docking of Intercalators and Groove-Binders to Nucleic Acids Using Autodock and Surflex

, 2016
The molecular docking tools Autodock and Surflex accurately reproduce the crystallographic structures of a collection of small molecule ligands that have been shown to bind nucleic acids. Docking studies were performed with the intercalators daunorubicin
Jonathan B. Chaires (10614), John O. Trent (10613), Patrick A. Holt (2423128)   +2 more
core   +1 more source

Salvianolic Acid a Disrupts the HSP90α‐AKT‐PERK Ternary Complex to Alleviate Atherosclerosis by Activating Endoplasmic Reticulum Stress of Senescent Vascular Smooth Muscle Cells

Advanced Science, EarlyView.
Salvianolic acid A (SAA) selectively induces senescent vascular smooth muscle cell apoptosis, alleviating atherosclerosis. Mechanistically, SAA targets heat shock protein 90 alpha (HSP90α) to disrupt the protein inase B (AKT)‐PRKR‐Like Endoplasmic Reticulum Kinase (PERK) scaffold, driving ubiquitin‐proteasome‐dependent AKT degradation.
Xiuya Guan, Mengkai Lu, Xinhai Cui, Dawei Zhang, Lei Zhang, Lin Lin, Yuan Li, Yuanlong Hu, Chao Li   +8 more
wiley   +1 more source

AutoDock and molecular dynamics-based therapeutic potential prediction of flavonoids for primary Sjögren's syndrome

Heliyon
Primary Sjögren's Syndrome (pSS) is a systemic autoimmune disease that leads to reduced saliva production, primarily affecting women due to estrogen deficiency.
Tianjiao Mao, Bo Chen, Wei Wei, Guiping Chen, Zhuoyuan Liu, Lihong Wu, Xiaomeng Li, Janak L. Pathak, Jiang Li   +8 more
doaj   +1 more source

Dual Compartmentalization of GSTA4 Suppresses Ferroptosis to Drive Antiandrogen Resistance in Prostate Cancer

Advanced Science, EarlyView.
The schematic diagram depicts a compartmentalized anti‐ferroptotic defense mechanism mediated by GSTA4. GSTA4 is upregulated and localizes to the cytoplasm in ENZR cells, where it detoxifies 4‐HNE via a non‐canonical GSH‐dependent pathway. Under oxidative stress, GSTA4 translocates to mitochondria, interacts with PGAM5, and blocks Drp1 Ser637 ...
Yong Luo, Wei Zhuang, Zean Li, Yiming Lai, Yongyi Ou, Dongquan Li, Shanhe Huang, Tianlong Luo, Jintao Hu, Bingliang Chen, Jianhan Fu, Tao Zhuo, Hankun Jiang, Yin Lu, Hai Huang, Kewei Xu, Shengmeng Peng, Qing Yuan   +17 more
wiley   +1 more source

Oral Recombinant Human Collagen III Protects Gastric Mucosa via G‐Quadruplex‐Mediated Activation of the Pla2g4a‐Prostaglandin Axis

Advanced Science, EarlyView.
Orally administered recombinant human type III collagen protects the gastric mucosa from ethanol‐induced injury by coordinating redox homeostasis, epithelial barrier repair, and arachidonic acid–prostaglandin metabolism. Gastric digestion releases the pentapeptide GPAEF, which interacts with the Pla2g4a promoter G‐quadruplex in a structure‐dependent ...
Xinyue Lan, Qiu Dai, Yanhui Wang, Jiaxuan Gu, Chengyun Wang, Weicheng Xu, Xinru Gao, Jiageng Cheng, Wentao Geng, Xiaowen Wu, Haihang Li, Xiaoyun He, Shengwei Fu, Longjiao Zhu, Wentao Xu   +14 more
wiley   +1 more source

Thermal Shifts Dominate Single‐Gene Responses to Transcription‐Targeting Antibiotics

Advanced Science, EarlyView.
Thermal shifts reshape bacterial responses to transcription‐targeting antibiotics. In E. coli, temperature can dominate antibiotic‐induced genome‐wide expression, particularly outside 30°C–39°C, through changes in adenosine triphosphate (ATP), nucleoid organization, and drug‐target engagement.
Rahul Jagadeesan, Amir M. Arsh, Vatsala Chauhan, Suchintak Dash, Pooja Ravaria, Andre S. Ribeiro   +5 more
wiley   +1 more source