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

doi:10.3390/books978-3-0365-6225-4

Download Url(s)

https://mdpi.com/books/pdfview/book/6574

Contributor(s)

Wani, Tanveer A. (editor)

Zargar, Seema (editor)

Hussain, Afzal (editor)

Language

English

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Abstract

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.

URI

https://directory.doabooks.org/handle/20.500.12854/96629

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; 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