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In Silico Strategies for Prospective Drug Repositionings

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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 a...

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Rannpháirtithe:	Udrescu, Lucreția (Eagarthóir), Kurunczi, Ludovic (Eagarthóir), Bogdan, Paul (Eagarthóir), Udrescu, Mihai (Eagarthóir)
Formáid:	Leictreonach Caibidil leabhair
Teanga:	Béarla
Foilsithe / Cruthaithe:	Basel MDPI - Multidisciplinary Digital Publishing Institute 2023
Ábhair:	Medicine Pharmaceutical industries 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
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