Results 191 to 200 of about 77,593 (305)

Heat Shock Protein 90: From Molecular Chaperone Function to Therapeutic Targeting in Malignancies

Advanced Science, EarlyView.
In this review, an integrated conceptual framework linking HSP90's molecular chaperone functions to its pathological roles in cancer is proposed. HSP90 serves as a central node that integrates oncogenic signaling, buffers proteotoxic stress, maintains cancer stem cell plasticity, and shapes tumor‐immune interactions, all of which converge to drive ...
Beibei Zhang, Xinxin Zou, Jiansong Zhou, Qinmiao Sun, Dahua Chen   +4 more
wiley   +1 more source

Astragalin improves cognitive disorder in Alzheimer's disease: Based on network pharmacology and molecular docking simulation. [PDF]

CNS Neurosci Ther
Du R, Pei H, He Z, Wang J, Zhou X, Li W, Zhu D, Zhang C.   +7 more
europepmc   +1 more source

Application of molecular docking simulation to screening of metal–organic frameworks

Computational Materials Science, 2023
Barbiellini Bernardo, Keshavarz Fatemeh
openaire   +1 more source

Intramolecular Interactions between Folded and Disordered Regions Shape Ubiquilin Structure and Function

Advanced Science, EarlyView.
Ubiquilin (UBQLN), like many other human proteins, contains both well‐folded and disordered regions. Here, we show that intramolecular interactions between disordered regions and folded domains modulate between open and closed topologies of UBQLN proteins, altering their structure and function.
Jessica K. Niblo, Nirbhik Acharya, Maxwell B. Watkins, Carlos A. Castañeda, Shahar Sukenik   +4 more
wiley   +1 more source

Identification of Molecular Mechanisms of Ameloblastoma and Drug Repositioning by Integration of Bioinformatics Analysis and Molecular Docking Simulation. [PDF]

Bioinform Biol Insights
Chujan S, Vajeethaveesin N, Satayavivad J, Kitkumthorn N.   +3 more
europepmc   +1 more source

Leonurine Ameliorates Doxorubicin‐Induced Cardiotoxicity via STING/NF‐κB/NLRP3 Inflammasome Signaling Pathway

Advanced Science, EarlyView.
ABSTRACT Doxorubicin‐induced cardiomyopathy (DIC) remains a dose‐limiting clinical challenge. This study reveals that cardiac vascular endothelial cells (CVECs) act as initial sensors of doxorubicin cardiotoxicity: circulating doxorubicin activates the cGAS‑STING pathway in CVECs, triggering NLRP3 inflammasome‑mediated pyroptosis and release of ...
Wang Jun, Chen Xiaoyang, Xu Jianglin, Yang Zhi, Tao Meijiao, He Jiale, Zhao Jiangfeng, Hei Xuanding, Xu Xuegong, Wang Wei, Li Chun   +10 more
wiley   +1 more source

In silico binding role of flavonoids as SARS-CoV-2 main protease (M^pro) inhibitors: A dataset of molecular docking simulation-based high-throughput virtual screening (HTVS). [PDF]

Data Brief
Eema M, Avupati VR.
europepmc   +1 more source

Chemical Profiling, Antioxidant, Cytotoxic Activities and Molecular Docking Simulation of Carrichtera annua DC. (Cruciferae). [PDF]

Antioxidants (Basel), 2020
Eltamany EE, Elhady SS, Ahmed HA, Badr JM, Noor AO, Ahmed SA, Nafie MS.   +6 more
europepmc   +1 more source

Molecular docking, simulation and MM-PBSA studies of nigella sativa compounds: a computational quest to identify potential natural antiviral for COVID-19 treatment. [PDF]

J Biomol Struct Dyn, 2021
Ahmad S, Abbasi HW, Shahid S, Gul S, Abbasi SW.   +4 more
europepmc   +1 more source

CCT2 Promotes Prostate Cancer Progression Through EIF3F‐Dependent Stabilization of FASN

Advanced Science, EarlyView.
ABSTRACT Prostate cancer (PCa) is increasingly recognized to be driven by dysregulated lipid metabolism. Although fatty acid synthase (FASN) is highly expressed in PCa, the mechanisms governing FASN protein stability and its functional integration into oncogenic lipid metabolism remain poorly defined.
Shun Xu, Yifan Zhang, Haolin Li, Shengyu Zhao, Xiaoran Dai, Qili Xu, Mintian Fei, Chun Li, Zhihui Zou, Baojun Wang, Li Zhang, Hui Wang, Ligang Zhang, Chaozhao Liang   +13 more
wiley   +1 more source