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