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Coumarin and Its Derivatives
| Coumarin and Its Derivatives |
| Autore | Matos Maria João |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 |
| Descrizione fisica | 1 online resource (406 p.) |
| Soggetto topico |
Biology, life sciences
Research & information: general |
| Soggetto non controllato |
3-aroylcoumarines
4-hydroxy-7-methoxycoumarin 4-hydroxycoumarin 6'-(4-biphenyl)-β-iso-cinchonine acenocoumarol adenosine receptors analytical methods anti-HIV antibacterial activity anticancer activity anticoagulation antiplatelet activity apoptosis autophagy benzopyrones benzyl 2,3-butadienoate binding affinity bioactivity biological applications biosynthesis biotransformation calanolide A calanolides Calophyllaceae Calophyllum chalcocoumarin chalcone chalepensin chalepin charge transfer cholinesterase inhibition cholinesterases Chromobacterium violaceum complementary therapies constitutive androstane receptor coumarin coumarin dyes coumarin3-carboxamides coumarins COX Crohn's disease curcumin curcumin-coumarin hybrids dihydrocoumarin-fused dihydropyranones direct laser write docking docking simulation drug discovery dye-sensitized solar cells electrophilic compounds Escherichia coli esculetin esculin ethynylaryl ferulenol five-membered aromatic heterocycles fluorescent probes free radical polymerization furan glutathione glycyrol Glycyrrhiza uralensis human monoamine oxidases hydroxyl-modified coumarin imidazole immunoproteasome impedance aggregometry in silico studies in silico tools inflammation inflammatory bowel disease intestinal inflammation isocoumarin kinetics LED liquiritigenin macrophage MAO-B MAPK mechanical valve model plant molecular dynamics monoamine oxidase inhibition n/a natural genetic variation natural products neurodegenerative diseases neuroprotection NF-κB non-nucleoside reverse transcriptase inhibitors (NNRTIs) non-peptidic osthole oxazole oxidative stress photocomposites photophysical plant-derived molecules polyphenols pseudocalanolides psoralen core pyranocoumarins pyrazole pyrrole QS inhibitors quorum sensing reverse transcriptase Ruta chalepensis Rutaceae scavenging activity scoparone selenophen simple coumarins sorafenib structural annotation thermal and structural characterization thiadiazole thiazole thieno [3,2-b] thiophene thiophene time in therapeutic range triazole ulcerative colitis umbelliferone warfarin warhead scan Yin Chen Hao |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910557577003321 |
Matos Maria João
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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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Molecular Modeling in Drug Design
| Molecular Modeling in Drug Design |
| Autore | Wade Rebecca |
| Pubbl/distr/stampa | MDPI - Multidisciplinary Digital Publishing Institute, 2019 |
| Descrizione fisica | 1 online resource (220 p.) |
| Soggetto topico | Chemistry |
| Soggetto non controllato |
adenosine
adenosine receptor adenosine receptors adhesion aggregation all-atom molecular dynamics simulation allosterism Alzheimer's disease amyloid fibrils AR ligands artificial intelligence AutoGrid binding affinity biophenols boron cluster cosolvent molecular dynamics de novo design deep learning density-based clustering docking drug design drug discovery dynamic light scattering enzymatic assays EphA2-ephrin A1 extracellular loops FimH fragment screening grid maps human ecto-5?-nucleotidase hyperlipidemia in silico screening interaction energy ligand binding ligand-protofiber interactions mechanical stability metadynamics method development molecular docking molecular dynamics molecular dynamics simulation molecular modeling molecular recognition natural compounds neural networks PPI inhibition probe energies promiscuous mechanism property prediction protein protein interactions protein-peptide interactions proteins quantitative structure-activity relationship (QSAR) quantitative structure-property prediction (QSPR) rational drug design resultant dipole moment scoring function solvent effect squalene synthase (SQS) steered molecular dynamics structure-based drug design target-focused pharmacophore modeling Traditional Chinese Medicine turbidimetry virtual screening |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910346839403321 |
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Wade Rebecca
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| MDPI - Multidisciplinary Digital Publishing Institute, 2019 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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