Results 231 to 240 of about 133,738 (306)

Swimming exercise improves vascular function and mitigates cardiac apoptotic response via Bcl-2 and Caspase-3 pathway in streptozotocin-induced diabetic rats: in vivo and in silico molecular docking study. [PDF]

Eur J Med Res
Okon IA, Aytar EC, Orie NN, Oka VO, Owu DU, Amadi NG, Bassey EK, Onuoha OG, Jacob AA, Ujong GO, Nwachukwu DC, Udoeyop FA, Uko BR, Amadi JE.   +13 more
europepmc   +1 more source

A Quantum Framework for Protein Binding‐Site Structure Prediction on Utility‐Level Quantum Processors

Advanced Science, EarlyView.
This study presents a hybrid quantum‐classical framework for accurate prediction of protein structures on utility‐level quantum processors. We evaluate the practical application of the Variational Quantum Eigen‐solver (VQE) in protein structure prediction and demonstrate its superiority over state‐of‐the‐art deep learning methods in molecular docking ...
Yuqi Zhang, Yuxin Yang, William Martin, Kingsten Lin, Zixu Wang, Cheng‐Chang Lu, Weiwen Jiang, Ruth Nussinov, Joseph Loscalzo, Qiang Guan, Feixiong Cheng   +10 more
wiley   +1 more source

Silico study: Hepatoprotective effects of capsaicin on the liver of aflatoxin B1-intoxicated mice (<i>Mus musculus</i>). [PDF]

Open Vet J
Sukmanadi M, Sudjarwo SA, Effendi MH, Khairullah AR, Madyawati SP, Mustofa I, Srianto P, Lamid M, Plumeriastuti H, Ahmad RZ, Akintunde AO, Awwanah M, Pratama BP, Prasetyo A.   +13 more
europepmc   +1 more source

HSP70 Interactome‐Mediated Proteolysis Targeting Chimera (HSP70‐PROTAC) for Ferroptosis‐Driven Cancer Treatment

Advanced Science, EarlyView.
This study reports a novel targeted protein degradation strategy termed “HSP70‐PROTAC” that recruits Hsc70 complex to a target protein for inducing degradation. Among them, GDAz‐3 exhibits effective GPX4 degradation activity via UPS/CMA processes, triggering ferroptosis‐driven anticancer activity in vitro and in vivo.
Jinyun Dong, Yulong Li, Hui Liang, Zumei Wu, Shiqun Wang, Yichao Wang, Jieyu Xu, Yanning Lan, Maohua Cai, Guangzhao Pan, Haiyan Yang, Kai Miao, Zhe‐Sheng Chen, Fangfang Tao, Xuelei Ma, Jiang‐Jiang Qin   +15 more
wiley   +1 more source

Binding modes and interaction mechanism of bisphenol A and its analogs in constitutive androstane receptor. [PDF]

Sci Rep
Jayaraman M, Gosu V, Subbulakshmi MM, Park JW, Jeyaraman J, Shin D.   +5 more
europepmc   +1 more source

DNA Nanostructure‐Templated Multivalency Enables Broad‐Spectrum Virus Inhibition

Advanced Science, EarlyView.
A honeycomb‐shaped DNA nanostructure is introduced that organizes nanobodies or aptamers into trimeric clusters mirroring the native hemagglutinin arrangement on influenza viruses. This geometry‐matched multivalency enhances binding avidity by up to 1000‐fold, resulting in robust, broad‐spectrum viral neutralization and a 30–55% improvement in host ...
Saurabh Umrao, Abhisek Dwivedy, Dhanush Gandavadi, Chi Chen, Lifeng Zhou, Jinwei Duan, Vineetha Mareddy, Ying Fang, Xing Wang   +8 more
wiley   +1 more source

Correction: Solvent-driven spectroscopic and quantum chemical evaluation of 2-[(trimethylsilyl) ethynyl]thiophene with molecular docking insights. [PDF]

Sci Rep
Sasikala V, Kayarohanam S, Balachandran V, Al-Sharif MS, Mahmoud SF, Elangovan N, Wong LS, Djearamane S.   +7 more
europepmc   +1 more source

5′tRF‐GlyGCC Promotes Breast Cancer Progression via LDHA‐Mediated Glycolysis and Macrophage Polarization

Advanced Science, EarlyView.
5’tRF‐GlyGCC promotes breast cancer malignancy by binding to LDHA. This interaction, facilitated by FGFR1 and LDHA phosphorylation, enhances glycolysis. Additionally, 5’tRF‐GlyGCC/LDHA signaling recruits and polarizes macrophages into a pro‐tumor M2 state via CCL7, thus remodeling the tumor microenvironment.
Cheng Yi, Yunqing Lu, Xing Chang, Ying Wang, Jiawang Zhou, Guoyou Xie, Lijun Tao, Zhaotong Wang, Yifan Tian, Lihong Wang, Feng Tang, Yijing Zheng, Xinchen Yue, Jinping Lei, Xiansong Wang, Lichen Ge, Zhuojia Chen, Hongsheng Wang   +17 more
wiley   +1 more source

Combining machine learning and molecular docking to unravel the molecular network of bladder cancer induced by 2-naphthylamine. [PDF]

Discov Oncol
Qin R, Li C, Liu C, Shen C, Hu D, Zhao X, Ge H, Zhu J, Wang Y.   +8 more
europepmc   +1 more source