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Chemoinformatics Approaches to Structure- and Ligand-Based Drug Design
| Chemoinformatics Approaches to Structure- and Ligand-Based Drug Design |
| Autore | Andricopulo Adriano D |
| Pubbl/distr/stampa | Frontiers Media SA, 2019 |
| Descrizione fisica | 1 online resource (415 p.) |
| Collana | Frontiers Research Topics |
| Soggetto topico |
Pharmacology
Science: general issues |
| Soggetto non controllato |
chemoinformatics
Computational Chemistry drug design molecular docking molecular dynamics Molecular modeling QSAR QSPR Virtual Screening |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910557666603321 |
Andricopulo Adriano D
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| Frontiers Media SA, 2019 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Drug-Drug Interactions
| Drug-Drug Interactions |
| Autore | Kim Dong Hyun |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 |
| Descrizione fisica | 1 online resource (242 p.) |
| Soggetto topico |
Biology, life sciences
Research & information: general |
| Soggetto non controllato |
(‒)-sophoranone
1A2 2B6 2C19 2C8 2C9 2D6 3A4 ADME adverse drug reactions biflavonoid chronic kidney disease competitive inhibition computational prediction CYP CYP1A1 CYP1A2 CYP2C9 CYP2D6 CYP3A CYP3A4 cytochrome P450 cytochromes P450 DDI Dexamethasone drug interaction drug interactions drug metabolism drug transporter drug-drug interaction drug-drug interactions expression fexofenadine gepants high plasma protein binding in silico in vitro in vivo inhibitor ixazomib Ketoconazole lasmiditan Lexicomp low permeability Loxoprofen mechanism-based inhibition metabolic DDI metabolism migraine monoclonal antibodies non-competitive inhibition O-desmethyltramadol OATP1B1 OATP1B3 organic anion transporting polypeptide 1A2 (OATP1A2) P-glycoprotein (P-gp) P450 pharmacokinetics physiologically-based pharmacokinetics plasma concentration polypharmacy potent inhibition QSAR regulation Rumex acetosa selamariscina A signal detection algorithms spontaneous reporting systems subset analysis substrate systemic exposure tadalafil ticagrelor tissue-specific tramadol tyrosine kinase inhibitors ubiquitination uridine 5'-diphosphoglucuronosyl transferase |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910557666403321 |
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Kim Dong Hyun
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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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Echinoderms Metabolites: Structure, Functions and Biomedical Perspectives
| Echinoderms Metabolites: Structure, Functions and Biomedical Perspectives |
| Autore | Kalinin Vladimir I |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 |
| Descrizione fisica | 1 online resource (179 p.) |
| Soggetto topico | Medicine and Nursing |
| Soggetto non controllato |
5,8-dihydroxy-1,4-naphthoquinone
anticoagulant activity Aplysina sp Buccinum sp Ceramaster patagonicus Colochirus quadrangularis cytostatic activity cytotoxic activity echinamine A echinamine B echinochrome A Echinometra lucunter fatty acids fucosylated chondroitin sulfate gas chromatography glucose uptake glycoprotein gD herpes simplex virus type 1 Holothuria hilla kurilosides mass spectrometry molecular docking Montastraea cavernosa n/a natural products neuroblastoma Neuro-2a cells NMR spectra O-glucoside Paracaudina chilensis Pasiphaea tarda Phormosoma placenta polyhydroxysteroidal esters prostate cancer Pseudoanthomastus agaricus QSAR quadrangularisosides sea cucumber sea urchins soft agar assay starfish sterols Thenea muricata thioglucoside conjugates thiomethylglycoside Thyonidium kurilensis triterpene glycosides Vero cells wound healing assay |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Altri titoli varianti | Echinoderms Metabolites |
| Record Nr. | UNINA-9910557386103321 |
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Kalinin Vladimir I
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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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From a Molecule to a Drug: Chemical Features Enhancing Pharmacological Potential
| From a Molecule to a Drug: Chemical Features Enhancing Pharmacological Potential |
| Autore | Ribaudo Giovanni |
| Pubbl/distr/stampa | Basel, : MDPI - Multidisciplinary Digital Publishing Institute, 2022 |
| Descrizione fisica | 1 online resource (234 p.) |
| Soggetto topico |
Medicine and Nursing
Pharmacology |
| Soggetto non controllato |
3-chymotrypsin-like protease
affinity chromatography alginate anti-ACE anti-DPP-IV anti-inflammatory drugs antioxidant activity benzoic acid derivatives big data binding free energy Box-Behken breast milk cannabinoid chemoinformatics chromatographic descriptors cisplatin clopidogrel coronavirus SARS-CoV-2 COVID-19 cyclooxygenase cytoprotection DFT calculations drug compounding drug discovery E-selectin Eucheuma gelatinae extraction fucoidan gallic acid gastrointestinal digestion high performance liquid chromatography ICAM-1 imine-enamine in silico L-selectin lithium therapy M/P ratio MCP-1 methadone hydrochloride microbiology molecular descriptors molecular docking molecular dynamics molecular dynamics simulations monocyte migration multitarget drug n/a nephrotoxicity neurocytology neuropathic pain neuroprotection NMR study one-pot oxone pain management paramyosin peroxymonosulfate pharmaceutical solutions pharmacodynamics pharmacokinetics physic-chemistry precision medicine protein binding pyrimidonic pharmaceuticals QSAR quercetin quercetin 3-O-glucuronide reaction mechanism reactivity parameters rheology SARS-CoV-2 seafood selenium selenoxide elimination sodium halide stability study statistical modeling target fishing thienopyridine THP-1 macrophage toxicology β-carrageenan |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Altri titoli varianti | From a Molecule to a Drug |
| Record Nr. | UNINA-9910585940503321 |
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Ribaudo Giovanni
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| Basel, : MDPI - Multidisciplinary Digital Publishing Institute, 2022 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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In Silico Strategies for Prospective Drug Repositionings
| In Silico Strategies for Prospective Drug Repositionings |
| Autore | Udrescu Lucreția |
| Pubbl/distr/stampa | Basel, : MDPI - Multidisciplinary Digital Publishing Institute, 2022 |
| Descrizione fisica | 1 electronic resource (288 p.) |
| Soggetto topico |
Medicine
Pharmaceutical industries |
| Soggetto non controllato |
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 |
| ISBN | 3-0365-6133-1 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910639987703321 |
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Udrescu Lucreția
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| Basel, : MDPI - Multidisciplinary Digital Publishing Institute, 2022 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Tox21 Challenge to Build Predictive Models of Nuclear Receptor and Stress Response Pathways as Mediated by Exposure to Environmental Toxicants and Drugs
| Tox21 Challenge to Build Predictive Models of Nuclear Receptor and Stress Response Pathways as Mediated by Exposure to Environmental Toxicants and Drugs |
| Autore | Xia Menghang |
| Pubbl/distr/stampa | Frontiers Media SA, 2017 |
| Descrizione fisica | 1 online resource (102 p.) |
| Collana | Frontiers Research Topics |
| Soggetto topico | Environmental economics |
| Soggetto non controllato |
HTS
in vitro assay nuclear receptor predictive model QSAR stress response Tox21 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910227348503321 |
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Xia Menghang
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| Frontiers Media SA, 2017 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Water and Wastewater Treatment
| Water and Wastewater Treatment |
| Autore | Barbusiński Krzysztof |
| Pubbl/distr/stampa | Basel, : MDPI - Multidisciplinary Digital Publishing Institute, 2022 |
| Descrizione fisica | 1 online resource (112 p.) |
| Soggetto topico | Research & information: general |
| Soggetto non controllato |
AOPs
assessment of ecotoxicity biodegradation biogas denitrification enhanced phosphorus removal environment environmental aspects environmental impact assessment environmental management system fluoroquinolones green building H2S high resolution mass spectrometry high-rate biofiltration hydrogen peroxide hydrogen sulfide IC50 impact life-cycle assessment management tool MIC n/a NH3 nitrification odors phosphates precipitation QSAR waste ochre wastewater technology wastewater treatment plant |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910566457503321 |
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Barbusiński Krzysztof
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| Basel, : MDPI - Multidisciplinary Digital Publishing Institute, 2022 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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