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

• Other Authors: Wani, Tanveer A. (Editor), Zargar, Seema (Editor), Hussain, Afzal (Editor)
• Format: Electronic Book Chapter
• Language: English
• Published: Basel MDPI - Multidisciplinary Digital Publishing Institute 2023
• Subjects: Medicine; Pharmacology; 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
• Online Access: DOAB: download the publication; DOAB: description of the publication

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...