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Decoding nature: multi-target anti-inflammatory mechanisms of natural products in the TLR4/NF-κB pathway
Published 2025-01-01“…In light of these considerations, this review comprehensively synthesizes recent research findings concerning the TLR4/NF-κB signaling pathway, including the translocation of TLR4 activation to lysosomes within the cytoplasm, the assembly of protein complexes mediated by ubiquitin chains K63 and K48, and the deacetylation modification of p65. …”
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102
Design and experimental validation of the action of small molecule-based inhibitors of the FADD protein
Published 2016-01-01“…For this purpose, the molecular modeling of the protein complexes and virtual screening of the potential inhibitors of FA DD has been performed. …”
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103
Chromatin remodeling (SWI/SNF) complexes, cancer, and response to immunotherapy
Published 2022-09-01“…Chromatin regulation involves four subfamilies composed of ATP-dependent multifunctional protein complexes that remodel the way DNA is packaged. …”
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104
Repurposing antiviral drugs targeting the PARP-1 and HER2 pathways with multifaceted impacts through integrated network analysis and molecular mechanics
Published 2025-06-01“…Subsequent molecular dynamics simulations, conducted over 200 ns, assessed the stability of these drug-protein complexes. Binding free energy was calculated using Molecular Mechanics/Generalized Born Surface Area (MM-GBSA) methods, reinforcing the stability and efficacy of the selected compounds followed by entropy calculation using Normal mode analysis done for Efavirenz complexes. …”
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105
Site-selective photo-crosslinking for the characterisation of transient ubiquitin-like protein-protein interactions.
Published 2025-01-01“…Using genetic code expansion and incorporation of commercially available unnatural amino acids, we have developed a highly accessible method whereby interactions between biotinylated ubiquitin-like protein (UBL) probes and their binding partners can be stabilised using ultraviolet (UV) light-induced crosslinks. The stabilised protein complexes can be purified using affinity purification and identified by mass spectrometry. …”
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106
Deciphering the potential of plant metabolites as insecticides against melon fly (Zeugodacus cucurbitae): Exposing control alternatives to assure food security
Published 2025-01-01“…Stability of the top compound-protein complexes was further confirmed through a 100 ns molecular dynamics simulation. …”
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107
Generation and analysis of mouse embryonic stem cells with knockout of the <i>Mcph1</i> (microcephalin) gene
Published 2024-09-01“…Сohesin and condensins are conserved multi-subunit protein complexes that participate in mammalian genome organization by extruding chromatin loops. …”
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108
Computer simulation of the spatial structure of MUC 1 peptides capable of inhibiting apoptosis
Published 2016-01-01“…Initiation of apoptosis occurs via the formationof macromolecular protein complexes. In these complexes, activation of key enzymes in apoptosis, caspases, takes place. …”
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109
The regulatory role of cystatin C in autophagy and neurodegeneration
Published 2019-07-01“…Autophagy is a dynamic cellular process involved in the turnover of proteins, protein complexes, and organelles through lysosomal degradation. …”
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110
Modulatory effects of selenium nanoparticles on gut microbiota and metabolites of juvenile Nile tilapia (Oreochromis niloticus) by microbiome-metabolomic analysis
Published 2025-03-01“…This study evaluated the in vitro effects of our previous synthesized SeNPs, coated with abalone visceral polysaccharide-protein complexes (PSP-SeNPs), on the proliferation of probiotics and common aquatic pathogens, and the in vivo effects on the gut microbiome and metabolome of tilapia. …”
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111
Identification of potential corticosteroid binding sites on the SARS CoV-2 main protease Mpro — in silico docking study
Published 2024-08-01“…It was shown that hydrogen bonds and hydrophobic interactions were involved in the formation of ligand-protein complexes mainly through residues such as Arg131, Lys137, Thr199, Asp289, Leu272, Leu286, Leu287, Tyr239, and Gly275, which formed the catalytic and distal sites for ligand binding. …”
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