Reprint
Spectroscopic, Thermodynamic and Molecular Docking Studies on Molecular Mechanisms of Drug Binding to Proteins
Edited by
January 2023
276 pages
- ISBN978-3-0365-6226-1 (Hardback)
- ISBN978-3-0365-6225-4 (PDF)
This is a Reprint of the Special Issue Spectroscopic, Thermodynamic and Molecular Docking Studies on Molecular Mechanisms of Drug Binding to Proteins that was published in
Chemistry & Materials Science
Medicine & Pharmacology
Summary
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, network pharmacology-driven investigations, and targeted anticancer treatments were also investigated.
Format
- Hardback
License and Copyright
© 2022 by the authors; CC BY-NC-ND license
Keywords
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; fluorescence quenching; binding interaction; quercetin; competition; hepatitis E virus; methyltransferase; fluorescence quenching; protein–ligand interaction; protein stability; enzyme assay; garlic; antioxidant; anti-glycation; glycation; AGEs; HSA; quetiapine; human serum albumin; hydrophobic interaction; thermodynamic parameters; seproxetine; antidepressant; charge transfer; π-acceptors; DFT; charge transfer; haloperidol; π-acceptors; antipsychotics; keratoconus; MMP-2; MMP-9; molecular docking; 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; molecular dynamics; 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