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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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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 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 electronic 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
| New Approaches for the Discovery of Pharmacologically-Active Natural Compounds |
| Autore | Medina-Franco José L |
| Pubbl/distr/stampa | MDPI - Multidisciplinary Digital Publishing Institute, 2019 |
| Descrizione fisica | 1 electronic resource (158 p.) |
| 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 | 3-03921-105-6 |
| 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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