Results 251 to 260 of about 3,160,114 (308)

Inhibition of MEKK3 Prevents Cerebral Cavernous Malformation Progression Via Restoring Endothelial Integrity and Restricting Microglial Activation

Advanced Science, EarlyView.
In this study, we demonstrate that aberrant MEKK3 signaling in endothelial cells and microglia drives the progression of cerebral cavernous malformations (CCMs). Furthermore, we identify DPDH as a potent small‐molecule MEKK3 inhibitor with substantial therapeutic potential for CCM treatment.
Weiwei Zheng, Suyun Yu, Liwenyu Chen, Jing Ma, Peiliang Shen, Chang Yu, Xiaoqing Xin, Qiuhong Shen, Jing Chen, Song Ke, Hao Liu, Xiaobing Jiang, Ruogu Qi, Juming Yan, Jia Li, Jaesung P. Choi, Yin Lu, Yang Zhao   +17 more
wiley   +1 more source

Age‐Related Lamin B1 Deficiency Activates SLC7A11‐Dependent Disulfidptosis to Impair Osteogenesis via Intercepting Mitochondrial Fission

Advanced Science, EarlyView.
This study reveals that age‐related LMNB1 deficiency in mesenchymal stem cells epigenetically upregulates SLC7A11, triggering actin disulfidptosis and mitochondrial dysfunction. This cascade impairs bone formation in senile osteoporosis. Furthermore, researchers identified the FDA‐approved drug naldemedine as a targeted SLC7A11 inhibitor to reverse ...
Wenhui Yu, Qibo Li, Weihao Zhang, Guan Zheng, Junhua Chen, Yipeng Zeng, Zipeng Xiao, Zibin Chen, Ziqian Liu, Yangfeng Lin, Jiajie Lin, Zepeng Su, Zhongyu Xie   +12 more
wiley   +1 more source

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Molecular dynamics simulation of the docking of substrates to proteins

Proteins: Structure, Function and Bioinformatics, 1994
AbstractA simple method is described to perform docking of subtrates to proteins or probes to receptor molecules by a modification of molecular dynamics simulations. The method consists of a separation of the center‐of‐mass motion of the substrate from its internal and rotational motions, and a separate coupling to different thermal baths for both ...
Danilo Roccatano, Alfredo Di Nola, Herman Berendsen   +2 more
exaly   +4 more sources

Hybrid Apollo docking simulation

Proceedings of the November 14-16, 1967, fall joint computer conference on - AFIPS '67 (Fall), 1967
The Apollo manned lunar landing program of the National Aeronautics and Space Administration has as requirements the execution of various rendezvous and docking maneuvers in space by the command and service module (CSM), the lunar module (LM), and the S-IVB space vehicles.
Bruce Johnson, Samuel S. Weiner
openaire   +1 more source

Simulation Verification of Rendezvous and Docking

2021
Space rendezvous and docking involves 12 degrees of freedom motion. Rendezvous and docking control is a complex, large-scale, and multi-parameter technology.
Yongchun Xie, Changqing Chen, Tao Liu, Min Wang   +3 more
openaire   +1 more source

Docking Simulation of Chemerin-9 and ChemR23 Receptor

Proceedings of the 2020 10th International Conference on Bioscience, Biochemistry and Bioinformatics, 2020
Chemerin-9 is a nonapeptide that corresponds to the YFPGQFAFS sequence on the C-terminus of Chemerin protein. Recent clinical and animal studies using mice, it has been recently reported that Chemerin-9 binds to the ChemR23 receptor and can suppress the inflammation-related diseases such as arteriosclerosis.In this study, molecular dynamics simulations
Keiichi Nobuoka, Hironao Yamada, Takeshi Miyakawa, Ryota Morikawa, Takuya Watanabe 0003, Masako Takasu   +5 more
openaire   +2 more sources

Numerical Errors and Chaotic Behavior in Docking Simulations

Journal of Chemical Information and Modeling, 2012
This work examines the sensitivity of docking programs to tiny changes in ligand input files. The results show that nearly identical ligand input structures can produce dramatically different top-scoring docked poses. Even changing the atom order in a ligand input file can produce significantly different poses and scores.
Miklos Feher, Christopher I. Williams
openaire   +3 more sources

Molecular Docking Simulations with ArgusLab

2019
Molecular docking is the major computational technique employed in the early stages of computer-aided drug discovery. The availability of free software to carry out docking simulations of protein-ligand systems has allowed for an increasing number of studies using this technique. Among the available free docking programs, we discuss the use of ArgusLab
Gabriela, Bitencourt-Ferreira, Walter Filgueira, de Azevedo   +1 more
openaire   +2 more sources

Simulation of STAT and HP1 interaction by molecular docking

Cellular Signalling, 2023
Heterochromatin Protein 1 (HP1) is a major component of heterochromatin. Multiple proteins have been shown to interact with HP1 with the HP1-binding motif PxVxL/I, thereby affecting heterochromatin stability. The HP1-interacting proteins include the signal transducer and activator of transcription (STAT) protein, which can be regulated by ...
Kangxin, Xu, Jinghong, Li, Willis X, Li
openaire   +2 more sources

The Modeling and Simulation of Rendezvous and Docking

2010 Second International Conference on Computer Modeling and Simulation, 2010
The modeling and simulation of rendezvous and docking (R&D) are realized. The line of sight (LOS) dynamic model is built to describe the relative motion of R&D. The above model is used to research the changing of distance, pitch, and azimuth of LOS. The non-control system can't accomplish R&D automatically.
Zhao Xia, Jiang Yu-Xian, Wu Yun-Jie
openaire   +1 more source