Spectroscopic, Thermodynamic and Molecular Docking Studies on Molecular Mechanisms of Drug Binding to Proteins

This reprint contains several articles where the molecular mechanisms and structural changes in target proteins on interaction with various viruses and bacteria were studied. In addition, drug-protein interactions, drug–drug interaction mechanisms, anti-Glycating, antioxidant, binding affinity, netw...

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格式:	Online
语言:	英语
出版:	MDPI - Multidisciplinary Digital Publishing Institute 2023
主题:	RSV ectodomain G protein heparan sulfate protein–ligand interaction fluorescence quenching molecular docking molecular dynamic simulation quercetin CCL4 neurotoxicity VirtualToxLab oxidative stress markers Huperzine A molecular dynamics simulation fluorescence spectroscopy human serum albumin neurodegenerative disorders drug–protein interactions erlotinib bovine serum albumin binding interaction competition hepatitis E virus methyltransferase protein stability enzyme assay garlic antioxidant anti-glycation glycation AGEs HSA quetiapine hydrophobic interaction thermodynamic parameters seproxetine antidepressant charge transfer π-acceptors DFT haloperidol antipsychotics keratoconus MMP-2 MMP-9 molecular dynamics MM-GBSA calculations pharmacophore mapping α-amylase advanced glycation end-products caffeic acid coumaric acid coronary artery disease phytotherapy network pharmacology angiogenesis zebrafish dynamics molecular docking NEK7 virtual screening DFTs deep learning drug design drug repurposing structural-based cancer A. aspera β-amyrin C. gigantea C. procera GC-MS Minimum inhibitory concentration (MIC) Molecular docking MD simulations Tuberculosis (TB) n/a thema EDItEUR::M Medicine and Nursing thema EDItEUR::M Medicine and Nursing::MK Medical specialties, branches of medicine::MKG Pharmacology
在线阅读:	ONIX_20230202_9783036562261_30
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Spectroscopic, Thermodynamic and Molecular Docking Studies on Molecular Mechanisms of Drug Binding to Proteins

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