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

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...

Täydet tiedot

Tallennettuna:
Aineistotyyppi: Online
Kieli:englanti
Julkaistu: MDPI - Multidisciplinary Digital Publishing Institute 2023
Aiheet:
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
thema EDItEUR::M Medicine and Nursing
thema EDItEUR::M Medicine and Nursing::MK Medical specialties, branches of medicine::MKG Pharmacology
Linkit:ONIX_20230202_9783036562261_30
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Yhteenveto: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.

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