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

• Format: eBook
• Language: English
• Published: Basel MDPI - Multidisciplinary Digital Publishing Institute 2023
• Subjects: Medicine and Nursing; Pharmacology; A. aspera; advanced glycation end-products; AGEs; angiogenesis; anti-glycation; antidepressant; antioxidant; antipsychotics; binding interaction; bovine serum albumin; C. gigantea; C. procera; caffeic acid; cancer; CCL4; charge transfer; competition; coronary artery disease; coumaric acid; deep learning; DFT; DFTs; drug design; drug repurposing; drug-protein interactions; dynamics molecular docking; ectodomain G protein; enzyme assay; erlotinib; fluorescence quenching; fluorescence spectroscopy; garlic; GC-MS; glycation; haloperidol; heparan sulfate; hepatitis E virus; HSA; human serum albumin; Huperzine A; hydrophobic interaction; keratoconus; MD simulations; methyltransferase; Minimum inhibitory concentration (MIC); MM-GBSA calculations; MMP-2; MMP-9; molecular docking; Molecular docking; molecular dynamic simulation; molecular dynamics; molecular dynamics simulation; n/a; NEK7; network pharmacology; neurodegenerative disorders; neurotoxicity; oxidative stress markers; pharmacophore mapping; phytotherapy; protein stability; protein-ligand interaction; quercetin; quetiapine; RSV; seproxetine; structural-based; thermodynamic parameters; Tuberculosis (TB); virtual screening; VirtualToxLab; zebrafish; α-amylase; β-amyrin; π-acceptors
• Online Access: Open Access: DOAB: description of the publication; Open Access: DOAB, download the publication
• Physical Description: 1 online resource (276 p.)
• ISBN: 9783036562254; 9783036562261; books978-3-0365-6225-4
• Access: Open Access

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.