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