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In Silico Strategies for Prospective Drug Repositionings

The discovery of new drugs is one of pharmaceutical research's most exciting and challenging tasks. Unfortunately, the conventional drug discovery procedure is chronophagous and seldom successful; furthermore, new drugs are needed to address our clinical challenges (e.g., new antibiotics, new antica...

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Format: Online
Language:English
Published: MDPI - Multidisciplinary Digital Publishing Institute 2023
Subjects:
COVID-19
drug repurposing
topological data analysis
persistent Betti function
SARS-CoV-2
network-based pharmacology
combination therapy
nucleoside GS-441524
fluoxetine
synergy
antidepressant
natural compounds
QSAR
molecular docking
drug repositioning
UK Biobank
vaccine
LC-2/ad cell line
drug discovery
docking
MM-GBSA calculation
molecular dynamics
cytotoxicity assay
GWAS
multiple sclerosis
oxidative stress
repurposing
ADME-Tox
bioinformatics
complex network analysis
modularity clustering
ATC code
hidradenitis suppurativa
acne inversa
transcriptome
proteome
comorbid disorder
biomarker
signaling pathway
druggable gene
drug-repositioning
MEK inhibitor
MM/GBSA
Glide docking
MD simulation
MM/PBSA
single-cell RNA sequencing
pulmonary fibrosis
biological networks
p38α MAPK
allosteric inhibitors
in silico screening
computer-aided drug discovery
network analysis
psychiatric disorders
medications
psychiatry
mental disorders
toxoplasmosis
Toxoplasma gondii
in vitro screening
drug targets
drug-disease interaction
target-disease interaction
DPP4 inhibitors
lipid rafts
thema EDItEUR::M Medicine and Nursing
thema EDItEUR::K Economics, Finance, Business and Management::KN Industry and industrial studies::KND Manufacturing industries
Online Access:ONIX_20230202_9783036561349_12
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