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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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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 Methods for Drug Design and Discovery
| In Silico Methods for Drug Design and Discovery |
| Autore | Brogi Simone |
| Pubbl/distr/stampa | Frontiers Media SA, 2020 |
| Descrizione fisica | 1 online resource (504 p.) |
| Soggetto topico | Science: general issues |
| Soggetto non controllato |
chemoinformatics
computational chemistry computational methods in medicinal chemistry computer-aided-drug design drug discovery molecular modeling web-servers |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910557626503321 |
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Brogi Simone
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| Frontiers Media SA, 2020 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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New Approaches for the Discovery of Pharmacologically-Active Natural Compounds / José L. Medina-Franco
| New Approaches for the Discovery of Pharmacologically-Active Natural Compounds / José L. Medina-Franco |
| Autore | Medina-Franco José L |
| Pubbl/distr/stampa | MDPI - Multidisciplinary Digital Publishing Institute, 2019 |
| Descrizione fisica | 1 electronic resource (158 p.) |
| Soggetto topico | Medicine and Nursing |
| Soggetto non controllato |
immunoproteasome
ginsenoside F1 visualization chemoinformatics soil microorganism molecular diversity web service epigenetics bioinsecticides Tibetan Plateau nanoparticles Py-GC/MS drug discovery consensus diversity plot chemical data set molecular interactions curcumin similarity maps Alzheimer's disease proteasome inhibitors cyclodextrin glycosyltransferase (CGTase) classification squalene docking molecular docking cholestasis protein aggregation brain diseases structure-activity relationship flavonoids molecular fingerprints cyclodextrin glycosyltransferase random forest multitarget natural products inflammation natural product-likeness chemical space epi-informatics molecular dynamics machine learning systematic review phenylethanoid glycosides ?-glucosyl ginsenoside F1 alpine grassland Calceolaria marine diterpenoid Parkinson's disease |
| ISBN |
9783039211050
3039211056 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910346860403321 |
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Medina-Franco José L
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| MDPI - Multidisciplinary Digital Publishing Institute, 2019 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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