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Computational Approaches: Drug Discovery and Design in Medicinal Chemistry and Bioinformatics
Computational Approaches: Drug Discovery and Design in Medicinal Chemistry and Bioinformatics
Autore Tutone Marco
Pubbl/distr/stampa Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021
Descrizione fisica 1 electronic resource (387 p.)
Soggetto topico Research & information: general
Chemistry
Soggetto non controllato 3D-QSAR
pharmacophore modeling
ligand-based model
HDACs
isoform-selective histone deacetylase inhibitors
aminophenylbenzamide
hERG toxicity
drug discovery
fingerprints
machine learning
deep learning
gene expression signature
drug repositioning approaches
RNA expression regulation
high-throughput virtual screening
dual-target lead discovery
neurodegenerative disorders
Alzheimer's disease
dual mode of action
multi-modal
nicotinic acetylcholine receptor
acetylcholinesterase
molecular docking
methotrexate
drug resistance
human dihydrofolate reductase
virtual screening
molecular dynamics simulation
epitope binning
epitope mapping
epitope prediction
antibody:antigen interactions
protein docking
glycoprotein D (gD)
herpes simplex virus fusion proteins
Src inhibitors
pharmacophore model
molecular dynamics simulations
in silico
COX-2 inhibitors
molecular modeling
sodium-glucose co-transporters 2
FimH
uropathogenic bacteria
urinary tract infections
diabetes
drug-resistance mutations
HIV-2 protease
structural characterization
induced structural deformations
SARS-CoV-2
COVID-19
multiprotein inhibiting natural compounds
MD simulation
3CL-Pro
antivirals
docking simulations
drug repurposing
consensus models
binding space
isomeric space
MRP4
SNPs
variants
protein threading modeling
molecular dynamics
binding site
hTSPO
PK11195
cholesterol
homology modeling
molecular dynamics (MD) simulation
carbon nanotubes
Stone-Wales defects
haeckelite defects
doxorubicin encapsulation
drug delivery system
binding free energies
noncovalent interactions
main protease
mutants
inhibitors
PF-00835231
Mycobacterium tuberculosis
tuberculosis
proteasome
natural compounds
multiscale
multitargeting
polypharmacology
computational biology
drug repositioning
structural bioinformatics
proteomic signature
skin aging
oxidative stress
aging progression mechanism
genome-wide genetic and epigenetic network (GWGEN)
systems medicine design
multiple-molecule drug
immunoproteasome
non-covalent inhibitors
MD binding
metadynamics
induced-fit docking
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Altri titoli varianti Computational Approaches
Record Nr. UNINA-9910557519403321
Tutone Marco  
Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021
Materiale a stampa
Lo trovi qui: Univ. Federico II
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Feature Paper in Antibiotics for 2019
Feature Paper in Antibiotics for 2019
Autore Lipman Jeffrey
Pubbl/distr/stampa Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2020
Descrizione fisica 1 electronic resource (282 p.)
Soggetto topico Medicine
Soggetto non controllato Antimicrobial resistance
antibiotics
antimicrobial stewardship
inappropriate prescribing
days of therapy
Start Smart then Focus
piperine
piperlongumine
antibacterial
antifungal
synergy
non-target feed
florfenicol
thiamfenicol
chloramfenicol
HPLC-MS/MS
validation
swine
out-of-hours care
primary care
quality of care
quality indicators
practitioners cooperative
antibiotic stewardship
fluoroquinolones
guidelines
urinary tract infections
quality improvement
general practitioners
guideline
health inequalities
health equity assessment tool
public health
Enterobacteriaceae
carbapenem-resistant
CRE
antibiotic resistance
antimicrobials
bacteriophages
biofilms
novel antimicrobials
Antibiotics
resistance
broad-spectrum agents
hospital epidemiology
antibiotic utilization
infection control
infection prevention
Pseudomonas aeruginosa
Acinetobacter baumannii
extended-spectrum beta-lactamases
carbapenem-resistant Enterobacteriaceae
methicillin-resistant Staphylococcus aureus
clinical trials
infectious disease
phage therapy
silver complexes
camphorimine
anti-Candida activity
antifungals
antibacterials
efflux inhibitors
efflux pumps
erm(41)
mutations
mycobacteria
verapamil
actinomycetes
bioactivity
polyketides
polyketide synthases
biosynthesis
antimicrobial resistance
economic evaluation
cost-utility analysis
cost-effectiveness analysis
policy analysis
One Health
Singapore
antibiotic prescribing
implementation
behavior change
stakeholder consultation
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Record Nr. UNINA-9910557689603321
Lipman Jeffrey  
Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2020
Materiale a stampa
Lo trovi qui: Univ. Federico II
Opac: Controlla la disponibilità qui
Flavonoids and Their Disease Prevention and Treatment Potential
Flavonoids and Their Disease Prevention and Treatment Potential
Autore Rupasinghe H.P. Vasantha
Pubbl/distr/stampa Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021
Descrizione fisica 1 electronic resource (346 p.)
Soggetto topico Humanities
Social interaction
Soggetto non controllato luteolin
apigenin
bacoside A
bacopaside I
vasorelaxation
isorhamnetin
flavonoid
bacterial sepsis
toll-like receptor 4
inflammation
citrus flavonoids
neohesperidin
anti-aging activity
chronological lifespan
synergistic effect
clinical trials
natural products
hyperalgesia
allodynia
analgesia
hypersensitivity
cytokines
NF-kB
defatted pitaya seed
extraction
phenolic content
flavonoid content
antioxidant activity
response surface methodology
flavonoids
aglycons
glycosides
IL-1β
TNF-α
IL-6
IL-8
pro-inflammatory cytokines
Acer okamotoanum
afzelin
isoquercitrin
obesity
quercitrin
aspirin
cancer prevention
hydroxybenzoic acids
cell cycle
CDKs
colorectal cancer
infectious diseases
amoebiasis
Mexican oregano
bioguided isolation
antiprotozoal agents
flavones
cancer
microbiome
molecular mechanisms
gene and protein regulatory networks
macrophages
NF-κB
IKKβ, inflammatory cytokines
apoptosis
foods for health
tangeretin
cancer stem cells
Stat3
citrus
CD44+/CD24−
phytochemicals
flavonoids and their derivatives
phytomedicine
COVID-19
SARS-COV-2
smart nanoparticles
non-flavonoids
membrane PUFAs profile
cell morphology
human colon cancer cells
cranberry
urinary tract infections
UTIs
uropathogenic Escherichia coli
UPEC
flavan-3-ols
A-type proanthocyanidins
phenolic metabolites
antiadhesive activity
probiotics
anthocyanin
tobacco-specific nitrosamine
carcinogenesis
cell proliferation
cancer chemoprevention
lung cancer
chalcones
DNA damage
anticancer activity
canine cancer cell lines
angiogenesis
in-vivo angiogenesis
CAM assay
SAR
cognition
passive avoidance test
memory extinction
mice
microglia
neuroprotection
black rice cyanidin-3-O-glucoside
wood sterols
dyslipidemia
CVD
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Record Nr. UNINA-9910557505903321
Rupasinghe H.P. Vasantha  
Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021
Materiale a stampa
Lo trovi qui: Univ. Federico II
Opac: Controlla la disponibilità qui
Hospital Acquired Infections, Multidrug Resistant (MDR) Bacteria, Alternative Approaches to Antibiotic Therapy
Hospital Acquired Infections, Multidrug Resistant (MDR) Bacteria, Alternative Approaches to Antibiotic Therapy
Autore Bostik Pavel
Pubbl/distr/stampa Basel, : MDPI - Multidisciplinary Digital Publishing Institute, 2022
Descrizione fisica 1 electronic resource (206 p.)
Soggetto topico Medicine
Epidemiology & medical statistics
Soggetto non controllato VRE
GIT
hemato-oncological patients
clonality
antibiotic stewardship
resistance
consumption of antibiotics
clonal spread
Enterococcus faecium
Enterococcus faecalis
linezolid resistance
23S rRNA
optrA
carbapenem-resistant Klebsiella pneumoniae
carbapenem-resistant Acinetobacter baumannii
N-acetylcysteine
septic shock
critically ill patients
newborn
infection
bacteria
antibiotic therapy
hops
C. difficile
rat model
Staphylococcus aureus
MRSA
spa typing
MLST
SCCmec typing
clonal analysis
epidemiology
cancer patients
duration of treatment
colistin
propensity score analysis
multidrug-resistant Acinetobacter baumannii
urinary tract infections
UTIs
MDR
Escherichia coli
Klebsiella
uropathogens
AMR
antibiotic resistance
ESBL-producing Klebsiella pneumoniae
urinary tract infection
clinical impact
economic impact
ventilator-associated pneumonia
Klebsiella spp
Escherichia spp
pulsed-field gel electrophoresis (PFGE)
endogenous infection
methicillin-resistant
porcine model
methicillin-resistant Staphylococcus aureus (MRSA)
long term care facilities (LTCF)
multidrug resistance (MDR)
enterobacterial repetitive intergenic consensus-polymerase chain reaction (ERIC-PCR)
ESBL
PCR
primer
antimicrobial resistance
infection prevention and control
antimicrobial stewardship
hospital
cluster analysis
principal component analysis
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Altri titoli varianti Hospital Acquired Infections, Multidrug Resistant
Record Nr. UNINA-9910580212703321
Bostik Pavel  
Basel, : MDPI - Multidisciplinary Digital Publishing Institute, 2022
Materiale a stampa
Lo trovi qui: Univ. Federico II
Opac: Controlla la disponibilità qui
New Insights on Biofilm Antimicrobial Strategies
New Insights on Biofilm Antimicrobial Strategies
Autore Melo Luís
Pubbl/distr/stampa Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021
Descrizione fisica 1 electronic resource (264 p.)
Soggetto topico Technology: general issues
Soggetto non controllato antibiofilm
antimicrobial agent
bacteria
fungi
polymicrobial biofilm
microalga
free fatty acids
encapsulation
biofilm
chronic wounds
host response
S100A8/A9
dental plaque
quorum sensing
microbial resistance
bacterial adhesion
blocking effect
hydrodynamics
parallel plate flow cell
carbon nanotubes
poly(dimethylsiloxane)
adhesion
Escherichia coli
Biofilm
Public Engagement
Outreach
Control Strategies
Oral Biofilm
TiO2 nanofibers
electrospinning
biofilm prevention and control
multidrug-resistant bacteria
biomedical application
biofilms
biofilm inhibition
dental implants
peri-implantitis
polyether-ether-ketone
Pseudomonas aeruginosa
Candida albicans
mixed-species biofilm analysis
flow cytometry
bacteriophage therapy
prosthesis related infections
hardware infections
left ventricular assist devices
Acinetobacter baumannii
antibiotic resistance
antibiotic tolerance
persister
intraspecies community
EPS matrix
peptide nucleic acid-fluorescence in situ hybridization
urinary tract infections
catheter-associated urinary tract infections
confocal laser scanning microscopy
recalcitrance
biofilm control
Klebsiella pneumoniae
KPC and OXA-48-like carbapenemases
Galleria mellonella infection model
linear oligoethyleneimine hydrochloride
bacteriophage
endotracheal tube
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Record Nr. UNINA-9910557721803321
Melo Luís  
Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021
Materiale a stampa
Lo trovi qui: Univ. Federico II
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Pediatric and Adolescent Nephrology Facing the Future: Diagnostic Advances and Prognostic Biomarkers in Everyday Practice
Pediatric and Adolescent Nephrology Facing the Future: Diagnostic Advances and Prognostic Biomarkers in Everyday Practice
Autore Taranta-Janusz Katarzyna
Pubbl/distr/stampa Basel, : MDPI - Multidisciplinary Digital Publishing Institute, 2022
Descrizione fisica 1 electronic resource (304 p.)
Soggetto topico Medicine
Clinical & internal medicine
Soggetto non controllato chronic kidney disease
cytokines
solitary functioning kidney
tumor necrosis factor-like weak inducer of apoptosis
netrin-1
renal tubular damage
premature newborns
overactive bladder
urinary microbiome
children
adolescents
cystatin C
galectin-3
periostin
primary hypertension
arterial damage
blood pressure
neurogenic bladder
myelomeningocele
markers
furosemide stress test
hyperfiltration
[IGFBP-7] × [TIMP-2]
NGAL
renal angina index
renal functional reserve
tubular damage
tubuloglomerular feedback
neurotrophins
transcutaneous electrical nerve stimulation
hemopexin
nephrotic syndrome
HNF1B
hyperuricemia
PTH
renal function
uric acid
FEUA
sclerostin
obesity
childhood
dental caries
gingivitis
kidney injury
glomerulopathy
glomerular injury
alpha-1 acid glycoprotein
urinary mRNA expression of podocyte-associated proteins
cathepsin B
premature neonates
immaturity
NT-proBNP
cardiovascular disease
common carotid artery intima-media thickness
bone morphogenetic protein (BMP)-2
bone morphogenetic protein (BMP)-6
extracellular matrix metalloproteinases inducer (EMMPRIN)
macrophage migration inhibitory factor (MIF)
tubular functional reserve
cytokeratin-18
endoglin
transforming growth factor-β1
renal fibrosis
congenital obstructive nephropathy
diabetic kidney disease
vascular endothelial markers
eGFR
adenine nucleotide metabolites
chronic renal failure
antibiotic resistance
Escherichia coli
inflammatory markers
urinary tract infection
B2M
cancer
CCS
CKD
nephropathies
renal toxicity
voiding cystography
infection
urinary tract
IgA nephropathy
IgA vasculitis with nephritis
vanin-1
biomarker
urinary tract infections
artificial intelligence
machine learning
medical decision support system
ISBN 3-0365-5974-4
Formato Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione eng
Altri titoli varianti Pediatric and Adolescent Nephrology Facing the Future
Record Nr. UNINA-9910639989903321
Taranta-Janusz Katarzyna  
Basel, : MDPI - Multidisciplinary Digital Publishing Institute, 2022
Materiale a stampa
Lo trovi qui: Univ. Federico II
Opac: Controlla la disponibilità qui