Results 111 to 120 of about 452,634 (352)

LincNEAT1 Encoded‐NEAT1‐31 Promotes Phagocytosis by Directly Activating the Aurora‐A–PI3K–AKT Pathway

Advanced Science, EarlyView.
LincNEAT1 Encoded‐NEAT1‐31 micropeptide directly binds with Aurora‐A and enhanced AKT pathways to pormotes phagocytosis against multi cancer cells. Abstract Macrophages play vital roles in innate and adaptive immunity, and their essential functions are mediated by phagocytosis and antigen presentation.
Jie Li, Jing Zhang, Xixi Li, Xin Liu, Bo Zeng, Jiayue Luo, Huijin Wang, Hanbing Zhang, Xinya Gao   +8 more
wiley   +1 more source

FABind+: Enhancing Molecular Docking through Improved Pocket Prediction and Pose Generation [PDF]

Molecular docking is a pivotal process in drug discovery. While traditional techniques rely on extensive sampling and simulation governed by physical principles, these methods are often slow and costly. The advent of deep learning-based approaches has shown significant promise, offering increases in both accuracy and efficiency.
arxiv   +1 more source

Meisoindigo Acts as a Molecular Glue to Target PKMYT1 for Degradation in Chronic Myeloid Leukemia Therapy

Advanced Science, EarlyView.
Meisoindigo targets PKMYT1 for degradation by acting as a molecular glue that enhances PKMYT1‐TRIM25 interaction, leading to K48‐linked ubiquitination and subsequent proteasomal degradation, thereby exerting therapeutic effects in chronic myeloid leukemia.
Zhao‐Xin Zhang, Shu‐Ying Li, Fang‐Fei Li, Qin‐Yan Shi, Cheng‐Yong Tan, Xiao‐Jing Wang, Mi Li, Yun‐Bao Liu, Jing Jin, Yong Li, Shi‐Shan Yu   +10 more
wiley   +1 more source

An Introduction to Biomolecular Simulations and Docking [PDF]

, 2014
The biomolecules in and around a living cell -- proteins, nucleic acids, lipids, carbohydrates -- continuously sample myriad conformational states that are thermally accessible at physiological temperatures. Simultaneously, a given biomolecule also samples (and is sampled by) a rapidly fluctuating local environment comprised of other biopolymers, small
arxiv   +1 more source

Isoquercitrin Alleviates Diabetic Nephropathy by Inhibiting STAT3 Phosphorylation and Dimerization

Advanced Science, EarlyView.
This study identified a natural compound, isoquercitrin, which significantly alleviated kidney inflammation and fibrosis by inhibiting STAT3 activity. Isoquercitrin forms a strong, noncovalent bond that directly binds to STAT3. Isoquercitrin binds to the pY+1 pocket of the SH2 domain of STAT3 via hydrogen bonding with Ser668, Gln635, and Gln633 ...
Chen Xuan, Donghui Chen, Shuangna Zhang, Chaofan Li, Qingyun Fang, Dinghua Chen, Jiabao Liu, Xin Jiang, Yingjie Zhang, Wanjun Shen, Guangyan Cai, Xiangmei Chen, Ping Li   +12 more
wiley   +1 more source

BAG2 Inhibits Cervical Cancer Progression by Modulating Type I Interferon Signaling through Stabilizing STING

Advanced Science, EarlyView.
Based on IP‐MS analysis, BAG2 is confirmed to be essential for ubiquitination and protein homeostasis regulation of STING in cervical cancer. BAG2 inhibits the ubiquitination and degradation of STING by forming a complex with STUB1, thereby activating the type I IFN signaling pathway and inhibiting the development of cervical cancer.
Shijie Yao, Siming Chen, Anjin Wang, Ziyan Liang, Xuelian Liu, Yang Gao, Hongbing Cai   +6 more
wiley   +1 more source

CABS-flex 2.0: a web server for fast simulations of flexibility of protein structures

, 2018
Classical simulations of protein flexibility remain computationally expensive, especially for large proteins. A few years ago, we developed a fast method for predicting protein structure fluctuations that uses a single protein model as the input.
Ciemny, Maciej Pawel, Gierut, Aleksandra Maria, Kmiecik, Sebastian, Kolinski, Andrzej, Kurcinski, Mateusz, Kuriata, Aleksander, Oleniecki, Tymoteusz   +6 more
core   +1 more source

Probing the Binding Mechanism of Mnk Inhibitors by Docking and Molecular Dynamics Simulations

Biochemistry, 2014
Mitogen-activated protein kinases-interacting kinase 1 and 2 (Mnk1/2) activate the oncogene eukaryotic initiation factor 4E (eIF4E) by phosphorylation. High level of phosphorylated eIF4E is associated with various types of cancers. Inhibition of Mnk prevents eIF4E phosphorylation, making them potential therapeutic targets for cancer.
Duraiswamy Athisayamani Jeyaraj, Kassoum Nacro, Chandra S. Verma, Chandra S. Verma, Chandra S. Verma, Srinivasaraghavan Kannan, Jeffrey Hill, Tan Sum Wai Eldwin, Boping Liu, Lohitha Rao Chennamaneni, Shi Hua Ang, Melvyn Ho, Anders Poulsen, Hai Yan Yang   +13 more
openaire   +4 more sources

A Supramolecular Material for Controlling Kiwifruit Bacterial Canker

Advanced Science, EarlyView.
The matrine‐5‐methylsalicylic acid salt (MOS) is reported for its excellent antibacterial activity against Pseudomonas syringae pv. actinidiae (Psa), with advanced cell membrane penetration ability and strong affinities for potential targets. Furthermore, a nanosupramolecular delivery system MOS@hydroxypropyl‐beta‐cyclodextrin (HPCD) with improved ...
Xile Deng, Qiang Bian, Mingqing Zhou, Le Xie, Jichuan Zhang, Tianqi Liu, Yizhuo Zhang, Li Zhang, Jiaheng Zhang, Lianyang Bai   +9 more
wiley   +1 more source

Docking and Molecular Dynamics Simulations of Celastrol Binding to p23

Bulletin of the Korean Chemical Society, 2012
Celastrol (CSL), a quinone methide triterpenoid (Fig. 1(a)) from thunder god vine, is a natural product with high antiinflammatory and anti-cancer potential. One of CSL’s major targets is the Hsp90 chaperoning system and its inhibition by CSL results in destabilization of the Hsp90 client proteins involved in inflammation and cancer.
openaire   +3 more sources