Results 81 to 90 of about 107,002 (300)

Identification of hepta-histidine as a candidate drug for Huntington's disease by in silico-in vitro- in vivo-integrated screens of chemical libraries. [PDF]

, 2016
We identified drug seeds for treating Huntington's disease (HD) by combining in vitro single molecule fluorescence spectroscopy, in silico molecular docking simulations, and in vivo fly and mouse HD models to screen for inhibitors of abnormal ...
Chen, Xigui, Finkbeiner, Steven, Fujita, Kyota, Homma, Hidenori, Ikura, Teikichi, Imamura, Tomomi, Ito, Nobutoshi, Kaye, Julia, Mao, Ying, Motoki, Kazumi, Nakabayashi, Makoto, Okano, Hideyuki, Okazawa, Hitoshi, Tagawa, Kazuhiko, Tamura, Takuya, Taniguchi, Juliana Bosso, Tomii, Kentaro, Yamada, Kazunori   +17 more
core   +2 more sources

PET Imaging of Cardiac Inflammation in Viral Myocarditis Using a DPP4‐Targeted Probe

Advanced Science, EarlyView.
This study describes a DPP4‐targeted PET probe for imaging myocardial inflammation by selectively targeting activated immune cells. Derived from the clinically approved small‐molecule inhibitor linagliptin, the probe demonstrates favorable biodistribution with specific cardiac uptake in myocarditis.
Wanhao Gao, Wenzhu Hu, Du Tang, Xinxin Liu, Kun Yu, Lixia Feng, Minyu Liao, Wang Lin, Wenqiang Zhu, Sanjay Rajagopalan, Xiaoli Lan, Jixin Zhong, Dao Wen Wang, Dawei Jiang, Xiaoquan Rao   +14 more
wiley   +1 more source

The AUTACE That Degrades KRAS and Engages CD8+ T Cells for the Treatment of KRAS/TP53 Co‐Mutant Tumors

Advanced Science, EarlyView.
AUTACE is a bifunctional nanoplatform that integrates tumor targeting, immune engagement, and on‐demand KRAS degradation. It targets KRAS/TP53 co‐mutant tumors via TP53‐specific TCRs, elicits antitumor CD8+ T‐cell responses through surface anti‐CD3 antibodies, and uses low‐intensity focused ultrasound (LIFU) to trigger controlled release of the KRAS ...
Luo Li, Bolin Li, Yanan Hao, Bo Pang, Pan Li, Chunli Li, Yu Tang   +6 more
wiley   +1 more source

A Molecular Docking and Dynamics Simulation Study on Prevention of Merozoite Red Blood Cell Invasion by Targeting Plasmodium vivax Duffy Binding Protein with Zingiberaceae Bioactive Compounds

Uniciencia
[Objective] Plasmodium vivax predominantly infects many people in numerous tropical areas, including Southeast Asia, the Western Pacific, the Americas, and the Eastern Mediterranean.
Muhammad Fikri Heikal, Wira Eka Putra, Sustiprijatno, Arief Hidayatullah, Diana Widiastuti, Mardiana Lelitawati   +5 more
doaj   +1 more source

PROTEIN-PROTEIN DOCKING REFINEMENT USING RESTRAINT MOLECULAR DYNAMICS SIMULATIONS

TASK Quarterly, 2016
A realistic prediction of the structure of protein-protein complexes is of major importance to obtain three-dimensional models for the interaction of proteins to form complexes and assemblies. In addition to the systematic search for putative binding sites on the surface of two binding partners, the second step of a docking effort, the refinement of ...
openaire   +2 more sources

Substrate-Specific Inhibition Constants for Phospholipase A2 Acting on Unique Phospholipid Substrates in Mixed Micelles and Membranes Using Lipidomics. [PDF]

, 2019
Assaying lipolytic enzymes is extremely challenging because they act on water-insoluble lipid substrates, which are normally components of micelles, vesicles, and cellular membranes.
Armando, Aaron, Dennis, Edward A, Mouchlis, Varnavas D   +2 more
core   +6 more sources

PAF Triggered Pyroptotic NETosis Aggravates Myocardial Ischemia/Reperfusion Injury

Advanced Science, EarlyView.
Platelet activating factor (PAF) secreted by cardiomyocytes during MI/R, drives NETs formation and subsequent NETosis. PAF/NETosis signaling activation is an initiative and causal factor in driving MI/R injury. This study identifies dapagliflozin as a potent NETosis inhibitor, and demonstrates that manipulating PAF‐NETosis signal by dapagliflozin or ...
Jiawei Wu, Shule Zhang, Ruofan Du, Lina Kang, Guodong Zhao, Xue Bao, Haochi Yang, Ziqing Xie, Tianyu He, Huiyong Sun, Haiping Hao, Lijuan Cao   +11 more
wiley   +1 more source

Donor-strand exchange in chaperone-assisted pilus assembly revealed in atomic detail by molecular dynamics [PDF]

, 2008
Adhesive multi-subunit fibres are assembled on the surface of many pathogenic bacteria via the chaperone-usher pathway. In the periplasm, a chaperone donates a β-strand to a pilus subunit to complement its incomplete immunoglobulin-like fold.
Ashcroft, A.E., Paci, E., Radford, S.E., Rose, R.J., Waksman, G., Welsh, T.S.   +5 more
core   +1 more source

Engineering MnPt Bimetallic Nanozymes for Cascade Enzymatic Therapy and Enhanced Radio‐Immunotherapy

Advanced Science, EarlyView.
A CD44‐targeted MnPt bimetallic nanozyme (HD@MnO2) integrates multienzyme‐like activity with cGAS–STING activation to boost radio‐immunotherapy. Through cascade biocatalysis, it depletes glutathione, relieves hypoxia, and amplifies ROS, enhancing radiotherapy‐induced DNA damage and immunogenic cell death. The nanozyme promotes dendritic cell maturation
Wenyi Zhang, Yangyang Guo, Guoping Xu, Luhaoxiang Liu, Lin Chen, Cai Zhang, Yiming Li, Jianmin Li, Yang Zhao   +8 more
wiley   +1 more source

All-atom simulations reveal how single point mutations promote serpin misfolding

, 2018
Protein misfolding is implicated in many diseases, including the serpinopathies. For the canonical inhibitory serpin {\alpha}1-antitrypsin (A1AT), mutations can result in protein deficiencies leading to lung disease, and misfolded mutants can accumulate ...
Beccara, Silvio a, Faccioli, Pietro, Gershenson, Anne, Ianeselli, Alan, Orioli, Simone, Spagnolli, Giovanni, Wang, Fang, Wintrode, Patrick L.   +7 more
core   +1 more source