Results 131 to 140 of about 452,634 (352)
Advanced Science, EarlyView.Enhancer eccANKRD28‐manipulated MM cells have been demonstrated to facilitate drug resistance and promote MM progression by activating the key transcription factor, POU2F2. POU2F2 interacts with sequence‐specific eccANKRD28 as well as RUNX1 and RUNX2 motifs to form the protein complex, which activates the promoter of oncogenes (IRF4, JUNB, IKZF3, et al.
Binzhen Chen +12 more
wiley +1 more source
Informatics in Medicine Unlocked, 2021 Bioflavonoids are the largest group of plant-derived polyphenolic compounds with diverse biological potential and have also been proven efficacious in the treatment of Severe Acute Respiratory Syndrome (SARS) and Middle East Respiratory Syndrome (MERS ...
Rajesh Patil +9 more
doaj
GNNAS-Dock: Budget Aware Algorithm Selection with Graph Neural Networks for Molecular Docking [PDF]
arXivMolecular docking is a major element in drug discovery and design. It enables the prediction of ligand-protein interactions by simulating the binding of small molecules to proteins. Despite the availability of numerous docking algorithms, there is no single algorithm consistently outperforms the others across a diverse set of docking scenarios.
arxiv
Advanced Science, EarlyView.The molecular recognition of the sugar moiety of GD3 and Gb3 (globotriaosylceramide) derivatives by Siglec‐7 has been thoroughly studied offering insights for cancer diagnostics and therapies. A combination of structural biology techniques, nuclear magnetic resonance (NMR) spectroscopy, physicochemical analysis, and in silico methods suggested that ...
Cristina Di Carluccio +15 more
wiley +1 more source
Machine Learning Harnesses Molecular Dynamics to Discover New $μ$ Opioid Chemotypes [PDF]
arXiv, 2018 Computational chemists typically assay drug candidates by virtually screening compounds against crystal structures of a protein despite the fact that some targets, like the $\mu$ Opioid Receptor and other members of the GPCR family, traverse many non-crystallographic states.
arxiv
Surface residues dynamically organize water bridges to enhance electron transfer between proteins
, 2010 Cellular energy production depends on electron transfer (ET) between proteins. In this theoretical study, we investigate the impact of structural and conformational variations on the electronic coupling between the redox proteins methylamine ...
Babcock, Nathan S. +4 more
core +2 more sources
Advanced Science, EarlyView.Eosinophils play a crucial role in the progression of temporomandibular joint osteoarthritis (TMJOA). This study demonstrates that eosinophils, induced by OVA/IL‐5, promote Lumican secretion in the synovium, which binds to Annexin A1 in chondrocytes, inhibiting transforming growth factor β2 and Smad2/3 phosphorylation.
Wenqian Chen +12 more
wiley +1 more source
Quantum-Inspired Machine Learning for Molecular Docking [PDF]
arXivMolecular docking is an important tool for structure-based drug design, accelerating the efficiency of drug development. Complex and dynamic binding processes between proteins and small molecules require searching and sampling over a wide spatial range.
arxiv
Binding site locations and interaction of the isolated middle loop of snake neurotoxin I with muscle type nicotinic acetylcholine receptor: molecular dynamics and docking simulation study [PDF]
, 2007 Adak Nasiripourdori +2 more
openalex +1 more source
Viridicatol from the Deep‐Sea‐Derived Fungus Alleviates Bone Loss by Targeting the Wnt/SHN3 Pathway
Advanced Science, EarlyView.Viridicatol (VDC), isolated from the deep‐sea‐derived fungus, enhances osteogenesis in vitro and in vivo by targeting Wnt/SHN3 signaling pathway. It can be delivered via engineered nanovesicles to mitigate bone loss of osteoporosis, fracture repair, and osteogenesis imperfecta.
Chun‐Lan Xie +10 more
wiley +1 more source