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

• Autres auteurs: Wani, Tanveer A. (Éditeur intellectuel), Zargar, Seema (Éditeur intellectuel), Hussain, Afzal (Éditeur intellectuel)
• Format: Électronique Chapitre de livre
• Langue: anglais
• Publié: Basel MDPI - Multidisciplinary Digital Publishing Institute 2023
• Sujets: 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
• Accès en ligne: DOAB: download the publication; DOAB: description of the publication

Résumé

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.

Description matérielle

1 electronic resource (276 p.)

ISBN

books978-3-0365-6225-4
9783036562261
9783036562254

Accès

Open Access