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Designing Next-Generation Drug-Like Molecules for Medicinal Applications

The development of new drugs/drug candidates for medical treatment remains an exciting but challenging process as only a limited number of synthetic compounds fit well into the discovery and development process after multiple experimentation and screening efforts in search of their preclinical prope...

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Salvato in:
Natura: Online
Lingua:inglese
Pubblicazione: MDPI - Multidisciplinary Digital Publishing Institute 2025
Soggetti:
anthraquinones
antidiabetic
antimicrobial
Cassia obtusifolia L.
hepatoprotection
neuro protection
spirooxindole
azomethine ylides
[3+2] cycloaddition reaction
anti-cancer activity
amide
anti-inflammatory
COX-2
iNOS
NO
PGE2
pyrazole
quinoline
thiosemicarbazone
molecular design
hybridization
Alzheimer’s disease
neurodegeneration
drug therapy
cholinesterases
enzyme inhibition
molecular docking
diabetes
drug delivery
α-glucosidase
in vivo studies
α-mangostin
nanosponges
quasi-emulsion method
HER4
ErbB4
cancer
kinase inhibitors
structure-activity relationship
hesperetin derivatives
PTP1B
hesperetin 5-O-glucoside
baricitinib
bioavailability
encapsulation
hybrid nanoparticles
poly(d,l-lactide-coglycolide)
stearin
anticancer
kinase inhibitor
neurodegenerative disorders
deep machine learning
generative modeling
kinase inhibitor design
Bruton’s tyrosine kinase
covalent inhibitors
3-phenyl-β-alanine 1,3,4-oxadiazole hybrids
carbonic anhydrase-II
dental caries
biofilm
glucosyltransferases
virtual screening
antibiofilm
antimicrobial ADMET profiling
triterpenoic acid
ursolic acid
oleanolic acid
betulinic acid
rhodamine B
rhodamine 101
cytotoxicity
SARS-CoV-2 nsp16-nsp10 2′-o-methyltransferase
FDA approved drugs
molecular fingerprints
structural similarity
MD simulations
MMPBSA
immunomodulatory
apoptosis
in silico studies
nicotinamide
VEGFR-2
amino acyl coumarins
(pseudo)-dipeptidyl coumarins
carbonic anhydrases (CAs)
monoamine oxidases (MAOs)
iodinated histidines
membrane active peptides
anticryptococcal activity
iodopeptides
pore formation
cell lysis
antifungal agents
n/a
thema EDItEUR::G Reference, Information and Interdisciplinary subjects::GP Research and information: general
thema EDItEUR::P Mathematics and Science::PH Physics::PHH Thermodynamics and heat
Accesso online:ONIX_20250220_9783725830084_520
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