Results 121 to 130 of about 449,170 (361)

Fluorescent Chitosan Hydrogels Based on Biomass‐Derived Carbon Dots for Toxic Aromatic Detection

Advanced Sustainable Systems, EarlyView.
Carbon dots made from food waste via a microwave–ultrasound method show strong, pH‐stable fluorescence. Thermal pretreatment enhances their optical properties. Incorporated into chitosan hydrogels, these dots form reusable sensors for detecting aromatic pollutants in water.
Imane Haddadou, Patrick Brisebois, Claudiane M. Ouellet‐Plamondon, Daniele Benetti, Federico Rosei   +4 more
wiley   +1 more source

Docking and Molecular Dynamic Simulation of Temozolomide with Carbonic Anhydrase XIII

Asian Journal of Organic & Medicinal Chemistry, 2020
The effect of inhibition of temozolomide, an alkylating agent widely used in cancer treatments, with carbonic anhydrase XIII protein was investigated using docking studies. The stability of temozolomide in the protein environment was assessed and analyzed by molecular dynamics simulation.
K. Selvaraju, P. V. Nidhin, R. Meenashi, P. Jayalakshmi, A. David Stephen   +4 more
openaire   +2 more sources

Evaluation of active designs of cephalosporin C acylase by molecular dynamics simulation and molecular docking [PDF]

Journal of Molecular Modeling, 2014
Optimization to identify the global minimum energy conformation sequence in in silico enzyme design is computationally non-deterministic polynomial-time (NP)-hard, with the search time growing exponentially as the number of design sites increases. This drawback forces the modeling of protein-ligand systems to adopt discrete amino acid rotamers and ...
Li, Q, Huang, X, Zhu, Y
openaire   +3 more sources

Branched‐Chain α Keto‐Acid Dehydrogenase Kinase‐Mediated AKT Phosphorylation Promotes RCC Tumorigenesis and Drug Resistance

Advanced Science, EarlyView.
This study identifies a novel oncogenic role and a previously unrecognized phosphorylation substrate of BCKDK in RCC, wherein it promotes tumor progression and drug resistance through AKT phosphorylation at both Thr308 and Ser473 sites and activation of AKT/mTOR and AKT/ABCB1 signaling pathways, offering a promising prognostic marker and therapeutic ...
Qin Tian, Jinxiang Wang, Qiji Li, Yangruiyu Liu, Yanping Chen, Jiacheng Feng, Zi‐Ning Lei, Harsh Patel, Chao‐Yun Cai, Yuzhi Xu, Chuntao Quan, Lingyan Fei, Zexiu Xiao, Shuo Fang, Tianxin Lin, Zhe‐Sheng Chen, Yuchen Liu, Leli Zeng, Yihang Pan   +18 more
wiley   +1 more source

Alnustone Ameliorates Metabolic Dysfunction‐Associated Steatotic Liver Disease by Facilitating Mitochondrial Fatty Acid β‐Oxidation via Targeting Calmodulin

Advanced Science, EarlyView.
This study identifies alnustone, a natural compound from Alpinia katsumadai, as a potent therapeutic agent for MASLD and MASH. Alnustone enhances mitochondrial fatty acid β‐oxidation by directly targeting calmodulin, improving liver steatosis, fibrosis, and insulin resistance in vivo.
Shourui Hu, Xiaofan Liang, Yiming Qin, Yuxuan Li, Yue Liu, Congcong Liu, Zongxuan Lin, Chunxuan Geng, Yanqi Xu, Daimin Wei, Yingying Qin, Han Zhao, Yuqing Zhang, Zi‐Jiang Chen   +13 more
wiley   +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

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

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

Engineering Electron Transfer Flux between Cytochrome P450 Enzyme and P450 Reductase to Enhance Serotonin Production in Escherichia Coli

Advanced Science, EarlyView.
The electron transfer flux in CPR‐P450 catalytic system is systematically engineered through: i) enhancing electron transfer rate by redesigning the putative electron transfer pathway of CPR; ii) improving electron‐receiving rate by evolving the heme domain of tryptophan‐5‐hydroxylase (T5H); iii) enlarging electron supply by fine‐tuning NADPH synthesis.
Wenzhao Xu, Pengling Wei, Lirong Chen, Ling Gao, Xiaole Xia   +4 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