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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 online resource (387 p.) |
| Soggetto topico |
Chemistry
Research & information: general |
| Soggetto non controllato |
3CL-Pro
3D-QSAR acetylcholinesterase aging progression mechanism Alzheimer's disease aminophenylbenzamide antibody:antigen interactions antivirals binding free energies binding site binding space carbon nanotubes cholesterol computational biology consensus models COVID-19 COX-2 inhibitors deep learning diabetes docking simulations doxorubicin encapsulation drug delivery system drug discovery drug repositioning drug repositioning approaches drug repurposing drug resistance drug-resistance mutations dual mode of action dual-target lead discovery epitope binning epitope mapping epitope prediction FimH fingerprints gene expression signature genome-wide genetic and epigenetic network (GWGEN) glycoprotein D (gD) haeckelite defects HDACs hERG toxicity herpes simplex virus fusion proteins high-throughput virtual screening HIV-2 protease homology modeling hTSPO human dihydrofolate reductase immunoproteasome in silico induced structural deformations induced-fit docking inhibitors isoform-selective histone deacetylase inhibitors isomeric space ligand-based model machine learning main protease MD binding MD simulation metadynamics methotrexate molecular docking molecular dynamics molecular dynamics (MD) simulation molecular dynamics simulation molecular dynamics simulations molecular modeling MRP4 multi-modal multiple-molecule drug multiprotein inhibiting natural compounds multiscale multitargeting mutants Mycobacterium tuberculosis n/a natural compounds neurodegenerative disorders nicotinic acetylcholine receptor non-covalent inhibitors noncovalent interactions oxidative stress PF-00835231 pharmacophore model pharmacophore modeling PK11195 polypharmacology proteasome protein docking protein threading modeling proteomic signature RNA expression regulation SARS-CoV-2 skin aging SNPs sodium-glucose co-transporters 2 Src inhibitors Stone-Wales defects structural bioinformatics structural characterization systems medicine design tuberculosis urinary tract infections uropathogenic bacteria variants virtual screening |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Altri titoli varianti | Computational Approaches |
| Record Nr. | UNINA-9910557519403321 |
Tutone Marco
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| Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Drug Repositioning: Current Advances and Future Perspectives
| Drug Repositioning: Current Advances and Future Perspectives |
| Autore | Yuhei Nishimura |
| Pubbl/distr/stampa | Frontiers Media SA, 2019 |
| Descrizione fisica | 1 online resource (153 p.) |
| Collana | Frontiers Research Topics |
| Soggetto topico | Pharmacology |
| Soggetto non controllato |
computational analysis
data sharing database Drug Repositioning Integrative strategies molecular docking multi-omics Patenting polypharmacology |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Altri titoli varianti | Drug Repositioning |
| Record Nr. | UNINA-9910346734903321 |
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Yuhei Nishimura
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| Frontiers Media SA, 2019 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Molecular Psychiatry
| Molecular Psychiatry |
| Autore | Rein Theo |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2020 |
| Descrizione fisica | 1 online resource (288 p.) |
| Soggetto topico |
Medicine and Nursing
Mental health services |
| Soggetto non controllato |
(2R,6R)-Hydroxynorketamine
5-HT 4 receptor 5-HT4R acid sphingomyelinase actin dynamics affective temperament alcohol dependence alpha-synuclein Alzheimer's disease antidepressant antidepressant treatment antidepressants antipsychotics basic-helix-loop-helix BDNF behavior biomarker discovery biomarkers bipolar disorder brain cardiovascular disease cell adhesion molecules chemokines childhood-onset schizophrenia (COS) circadian rhythms coactivator cognition copy number variation (CNV) cordance CRMP-2 CyP40 cytoskeleton dendritic arborization depression DISC1 DNA methylation dopaminergic gene polymorphisms DRR1 drug design early neurodevelopment electroconvulsive therapy endocrinology expression FAM107A FKBP5 FKBP51 FKBP52 forced swimming gender gene expression general cognitive function genetic correlation glucocorticoids GR GWAS Hamilton Scale of Depression hippocampus HPA axis Hsp90 Immune response immunohistochemistry immunology induced pluripotent stem cell (iPSC) inflammation intelligence Ketamine liver enzymes machine learning major depression major depressive disorder mineralocorticoid receptor knockout miRNAs molecular chaperones mood disorder multi-target drugs multi-task learning n/a nervous system neurodevelopment neuroinflammation neuronal differentiation obesity Parkinson's disease polypharmacology PP5 PPARγ proteomics PSA-NCAM psychiatric disease psychiatry rapid-acting resilience response variability Roman rat lines schizophrenia serotonin sex difference sleep sleep EEG SNCA social defeat sphingolipid metabolism steroid hormones stress stress physiology stress response susceptibility synapse T cells Th17 cells transcription biology Treg cells trkB TU3A western blot withdrawal |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910557793503321 |
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Rein Theo
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| Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2020 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Natural Compounds as New Cancer Treatments / Enrique Barrajon
| Natural Compounds as New Cancer Treatments / Enrique Barrajon |
| Autore | Barrajon Enrique |
| Pubbl/distr/stampa | MDPI - Multidisciplinary Digital Publishing Institute, 2019 |
| Descrizione fisica | 1 electronic resource (128 p.) |
| Soggetto topico | Medicine and Nursing |
| Soggetto non controllato |
microbiota
treatment sulforaphane synergy epigenetic natural compound xenohormesis anticancer miR-663 tyrosine kinase inhibitors acetylation epidemiology double-blinded inflammation bladder cancer polypharmacology animal model synbiotics resveratrol royal jelly 5-aza-2'-deoxycytine saponins phenolics cardiovascular disease antioxidant colorectal cancer trypsin inhibitors seeds green tea Gac randomized clinical trial melanoma adverse events extraction microbiome Momordica cochinchinensis freeze dried extract renal cell carcinoma methylation cancer probiotics |
| ISBN |
9783039213665
3039213660 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910367758003321 |
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Barrajon Enrique
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| MDPI - Multidisciplinary Digital Publishing Institute, 2019 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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