Results 91 to 100 of about 46,324 (245)

AL398, A Novel NSUN6 Inhibitor, Attenuates Epithelial‐Mesenchymal Transition and Metastasis in Endometrial Cancer by Abrogating m5C‐Dependent Stabilization of Snail mRNA

Advanced Science, EarlyView.
Proposed molecular mechanism: NSUN6 catalyzes m5C methylation on Snail mRNA to enhance its stability, leading to Snail upregulation and EMT promotion. The first‐in‐class inhibitor AL398 suppresses endometrial cancer metastasis by targeting the NSUN6‐m5C‐Snail. axis. ABSTRACT Endometrial cancer (EC) constitutes a leading gynecologic malignancy for which
Xiangzhuan Zhao, Linlin Yang, Huanxiang Chen, Chenfeng Guo, Hongshen Lu, Ying Zhu, Xuanzhi Wang, Yang Li, Ruike Zhang, Zichong Huang, Yifang Chen, Keyu Jin, Zeduo Xu, Lingxiu Meng, Longfeng Zhang, Yuanyuan Han, Yicong Yan, Qiaozhen Kang, Junhu Wan, Hongyang Liu   +19 more
wiley   +1 more source

Molecular Docking of Endolysins for Studying Peptidoglycan Binding Mechanism

Molecules
Endolysins of bacteriophages, which degrade the bacterial cell wall peptidoglycan, are applicable in many industries to deal with biofilms and bacterial infections.
Arina G. Arakelian, Gennady N. Chuev, Timur V. Mamedov   +2 more
doaj   +1 more source

Improved Evolutionary Hybrids for Flexible Ligand Docking in Autodock [PDF]

, 1999
In this paper we evaluate the design of the hybrid evolutionary algorithms (EAs) that are currently used to perform flexible ligand binding in the Autodock docking software.
Hart, William E., Belew, Richard K., Rosin, Chris, Morris, Garrett M.   +3 more
core  

JADOPPT: java based AutoDock preparing and processing tool [PDF]

, 2017
[EN]Motivation: AutoDock is a very popular software package for docking and virtual screening. However, currently it is hard work to visualize more than one result from the virtual screening at a time. To overcome this limitation we have designed JADOPPT,
Peláez Lamamie de C. Arroyo, Rafael, Therón Sánchez, Roberto, García Pérez Teijón, Carlos Antonio, López Pérez, José Luis   +3 more
core   +1 more source

Dual pKa Lipid Nanoparticles for Lung‐tropic mRNA Delivery and pH‐Programmed Endosomal Escape

Advanced Science, EarlyView.
Lipid nanoparticles’ bottleneck lies in low endosomal escape efficiency and liver‐dominant delivery after intravenous administration. To overcome these limitations, we present a stepwise pH‐programmed lipid nanoparticle system enabled by our newly synthesized ionizable lipid.
Seong Gi Lim, Minju Lee, Yiming Wang, Eunjin Choi, Ji Sun Park, Kyungmin Park, Hayoung Jeon, Donghyun Kim, Donghyun Lee, Yeeun Lee, Kee‐Pyo Kim, Eunha Kim, Heebeom Koo   +12 more
wiley   +1 more source

Data for: Evaluation of Consensus Scoring Methods for the Docking Programs AutoDock Vina, smina and idock

, 2020
The results of screening 20 DUD-E targets with their associated ligands, as docked by AutoDock Vina, smina and idock. The results of screening 5 DUD-E targets with their associated ligands, as docked by AutoDock Vina, smina and idock, but with their ...
Lily Masters (8360262), Michael Heying (2699014), Scott Eagon (2130277)   +2 more
core   +1 more source

AARS1‐Mediated H3K27 Lactylation Rewires Glycolysis to Sustain Aggressive and Recurrent Bladder Cancer

Advanced Science, EarlyView.
AARS1 drives PI3K–AKT–mTOR‐dependent glycolysis in bladder cancer, promoting lactate accumulation, increased lactylation, H3K27la enrichment at the HK2 promoter, and HK2 transcription. HK2 reinforces glycolysis, sustaining a metabolic–epigenetic program associated with tumor progression, recurrence, and metastasis.
Qin Yuan, Tianbao Song, Yipeng He, Sihan Xia, Yaoqiu Huang, Wenlin He, Qin Yi, Zefeng Wang, Peihan Wang, Chenbo Huang, Linzhi Li, Zhen Yin, Fan Cheng, Weimin Yu   +13 more
wiley   +1 more source

Performance Evaluation Of Molecular Docking Software For Epidermal Growth Factor Receptor (EGFR) Inhibitors: A Systematic Review Of AutoDock, AutoDock Vina, GOLD, And Glide

This systematic review compares the performance of four molecular docking software tools -AutoDock 4, AutoDock Vina, GOLD, and Glide- for small molecules synthetic or natural exhibiting inhibitory activity against Epidermal Growth Factor Receptor (EGFR).
Sarah Alotaibi
core   +5 more sources

Optimizing protein-ligand docking through machine learning: algorithm selection with AutoDock Vina

Discover Chemistry
Context Understanding protein-ligand interactions is fundamental to drug design, where optimizing docking parameter selection can potentially enhance computational efficiency and resource allocation in virtual screening.
Ala’ Omar Hasan Zayed
doaj   +1 more source

Intelligent Programmable Membrane Nanosponge for Early Virus Blocking

Advanced Science, EarlyView.
A smart programmable nanosponge (ACNPs) displays high‐density viral receptors on its membrane and encapsulates fusion inhibitors to capture virions at the infection source through competitive binding and blocks their entry through protease inhibition for ultra‐early cascade interception. This modular, mucus‐penetrating platform shifts antiviral defence
Ze Chen, Zhuojun He, Huimin Guo, Min Shi, Ruijing Liang, Lanlan Liu, Yeneng Dai, Qi Zhao, Ke Liu, Yang Zhou, Yang Zhang, Jian Ren, Bin Ju, Quan Fang, Zhaozhen Li, Pengfei Zhao, Mingbin Zheng, Lintao Cai   +17 more
wiley   +1 more source