Anticancer Agents : Design, Synthesis and Evaluation |
Autore | Chen Qiao-Hong |
Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 |
Descrizione fisica | 1 electronic resource (606 p.) |
Soggetto topico | Medicine |
Soggetto non controllato |
benzofurans
chemical synthesis cytotoxic properties HeLa MOLT-4 K562 anticancer anti-neuroinflammation coumarin dihydroartemisinin flavonoids allene E-stereoselective regioselective anti-cancer activity cyanopyridone substituted pyridine pyridotriazine pyrazolopyridine thioxotriazopyridine anticancer activity HepG2 antitumor activity computational docking MDM2-p53 interaction xanthones yeast-based assays estrone derivatives hydrazine N-substituted pyrazoline anti-ovarian cancer topoisomerase II inhibitor kinase inhibitor antiproliferative agent urea synthesis antiproliferative activity apoptosis indoleamine 2,3-dioxygenase inhibitor anti-tumor immune modulation tryptophan metabolism taxoids βIII-tubulin P-glycoprotein drug resistance thiopene thienopyrimidinone thiazolidinone breast cancer benzofuran–pyrazole nanoparticles cytotoxic activity PARP-1 inhibition 3,6-dibromocarbazole 5-bromoindole carbazole actin migration Thienopyrimidine Pyrazole PI3Kα inhibitor quinazolin-4(3H)-one quinazolin-4(3H)-thione Schiff base antioxidant activity DFT study ortho-quinones beta-lapachone tanshione IIA PI3Ks PI3Kδ inhibitors 2H-benzo[e][1,2,4]thiadiazine 1,1-dioxide anticancer agents protein–protein interactions virtual screening mimetics drug discovery bivalency polyvalency antitumor cell cycle ovarian cancer P-MAPA IL-12 TLR signaling inflammation chemoresistance 4-(pyridin-4-yloxy)benzamide 1,2,3-triazole c-Met natural product anticancer agent zampanolide Talazoparib PARP inhibitor prodrug o-nitro-benzyl photoactivatable protecting groups salinomycin overcoming drug resistance tumor specificity synergy 5-fluorouracil gemcitabine amides/esters colchicine analogs thiocolchicine colchiceine antimitotic agents hydrates dihydropyranoindole HDAC inhibitors neuroblastoma aromatase MCF-7 NIH3T3 benzimidazole triazolothiadiazine docking ADME organosilicon compounds SILA-409 (Alis-409) SILA-421 (Alis-421) multidrug resistance (MDR) reversal ABCB1 (P-glycoprotein) colon cancer colchicine amide colchicine sulfonamide tubulin inhibitors docking studies crystal structure PROTACs protein degradation IGF-1R Src protein kinase phenylpyrazolopyrimidine enzyme inhibition molecular simulation androgen receptor prostate cancer enzalutamide apalutamide darolutamide triple-negative breast cancer cytotoxicity chrysin analogues flavonoid anticancer compounds |
Formato | Materiale a stampa ![]() |
Livello bibliografico | Monografia |
Lingua di pubblicazione | eng |
Altri titoli varianti | Anticancer Agents |
Record Nr. | UNINA-9910557129103321 |
Chen Qiao-Hong
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Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 | ||
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Lo trovi qui: Univ. Federico II | ||
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Computational Approaches: Drug Discovery and Design in Medicinal Chemistry and Bioinformatics |
Autore | Tutone Marco |
Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 |
Descrizione fisica | 1 electronic resource (387 p.) |
Soggetto topico |
Research & information: general
Chemistry |
Soggetto non controllato |
3D-QSAR
pharmacophore modeling ligand-based model HDACs isoform-selective histone deacetylase inhibitors aminophenylbenzamide hERG toxicity drug discovery fingerprints machine learning deep learning gene expression signature drug repositioning approaches RNA expression regulation high-throughput virtual screening dual-target lead discovery neurodegenerative disorders Alzheimer's disease dual mode of action multi-modal nicotinic acetylcholine receptor acetylcholinesterase molecular docking methotrexate drug resistance human dihydrofolate reductase virtual screening molecular dynamics simulation epitope binning epitope mapping epitope prediction antibody:antigen interactions protein docking glycoprotein D (gD) herpes simplex virus fusion proteins Src inhibitors pharmacophore model molecular dynamics simulations in silico COX-2 inhibitors molecular modeling sodium-glucose co-transporters 2 FimH uropathogenic bacteria urinary tract infections diabetes drug-resistance mutations HIV-2 protease structural characterization induced structural deformations SARS-CoV-2 COVID-19 multiprotein inhibiting natural compounds MD simulation 3CL-Pro antivirals docking simulations drug repurposing consensus models binding space isomeric space MRP4 SNPs variants protein threading modeling molecular dynamics binding site hTSPO PK11195 cholesterol homology modeling molecular dynamics (MD) simulation carbon nanotubes Stone-Wales defects haeckelite defects doxorubicin encapsulation drug delivery system binding free energies noncovalent interactions main protease mutants inhibitors PF-00835231 Mycobacterium tuberculosis tuberculosis proteasome natural compounds multiscale multitargeting polypharmacology computational biology drug repositioning structural bioinformatics proteomic signature skin aging oxidative stress aging progression mechanism genome-wide genetic and epigenetic network (GWGEN) systems medicine design multiple-molecule drug immunoproteasome non-covalent inhibitors MD binding metadynamics induced-fit docking |
Formato | Materiale a stampa ![]() |
Livello bibliografico | Monografia |
Lingua di pubblicazione | eng |
Altri titoli varianti | Computational Approaches |
Record Nr. | UNINA-9910557519403321 |
Tutone Marco
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Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 | ||
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Lo trovi qui: Univ. Federico II | ||
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Marine Compounds and Cancer 2020 |
Autore | Honecker Friedemann |
Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 |
Descrizione fisica | 1 electronic resource (480 p.) |
Soggetto topico | Medicine |
Soggetto non controllato |
apoptosis
fucoidan hepatocellular carcinoma reactive oxygen species 3-alkylpyridinium polymers nicotine nicotinic acetylcholine receptor non-small cell lung carcinoma melanoma sinulariolide proteomic mitochondria caspase cascade marine fungus sediment anthranilic acid Penicillium paneum cytotoxicity dibromotyrosine mitochondrial dysfunction oxidative stress topoisomerase epigonal organ bonnethead shark Jurkat tumor cell line hippuristanol PEL AP-1 STAT3 Akt colorectal cancer marine mollusc brominated indoles shrimp chemoprevention fatty acids carotenoids cancer nanoparticle osteosarcoma lung metastasis elisidepsin lipid rafts hydroxylated lipids fatty acid 2-hydroxylase cooperative binding membrane permeabilization marine organisms polysaccharides anticancer anticarcinogenic mechanisms of action fumigaclavine C anti-proliferation mitochondrial pathway anti-cancer anti-proliferative carotenoid cell cycle arrest fucoxanthin azoxymethane bioactive natural product isatin in vivo model Marthasterias glacialis L. palmitic acid ER-stress CHOP Antibody Drug Conjugates (ADCs) marine antitumor agents clinical trials approved antitumor agents AD0157 angiogenesis marine drug pyrrolidinedione secondary metabolites cancer preventive chemopreventive trabectedin plitidepsin tumor-associated macrophages tumor microenvironment preclinical anticancer immunity antiangiogenesis fascaplysin cyclin-dependent kinase small cell lung cancer camptothecin poly(ADP-ribose)-polymerase inhibitor breast cancer seaweed therapeutic compounds autophagy marine drugs autophagy inhibitors autophagy inducers macrolide programmed cell death energy stress araguspongine C c-Met HER2 gemcitabine pazopanib phase I safety soft tissue sarcoma pachastrissamine jaspine B carbocyclic analogue sphingosine kinase inhibitor molecular modeling ET-743 DNA minor groove binder soft tissue sarcoma chemotherapy bis (2,3-dibromo-4,5-dihydroxy-phenyl)-methane (BDDPM) anti-metastatic activity cell adhesion β1-integrin FAK BEL-7402 cell triterpene glycosides sea cucumbers antitumor activities arrest of cell cycle antibacterial marangucyclines deep-sea Streptomyces sp. SCSIO 11594 LS-1 SNU-C5/5-FU TGF-β signaling carcinoembryonic antigen kalkitoxin Moorea producens mitochondria toxin VEGF angiogenesis inhibitor hypoxia-inducible factor-1 HIF-1 Lyngbya majuscula marine metabolites SZ-685C nonfunctioning pituitary adenomas Ecklonia cava phlorotannins dieckol migration sipholenol A ABC transporter multidrug resistance P-gp/ABCB1 BCRP/ABCG2 MRP1/ABCC1 marine natural products glioblastoma xyloketal B proliferation TRPM7 marine compound ribosomal protein genes snoRNA FAU RPS30 SNORA62 evolution Porifera Penicillium brevicompactum Brevianamide Mycochromenic acid derivative antifouling Caribbean sponge plakortide endoperoxide leukemia multi-drug resistant leukemia Sarcophyton ehrenbergi soft coral terpenes cembranoids cytotoxic activity molecular docking uveal melanoma oxidative stress virtual screening Topo I inhibitor low toxic natural product Ulva fasciata selenium-containing polysaccharide-protein complex pseudopterosin NF-κB p65 inflammation cytokine release IL-6 TNFα MCP-1 glucocorticoid receptor paulomycins Micromonospora antitumor Cantabrian Sea-derived actinobacteria puupehenones sponges antiangiogenic antitumoral porifera/sponge cancer genes molecular oncology bromophenol molecular mechanisms cell cycle PI3K/Akt p38/ERK ROS human lung cancer glycosaminoglycans antiproliferative heparan sulphate gliotoxin NSCLC adriamycin resistance Sepia ink polysaccharides antitumour chemosensitization anticoagulation sea anemone drug discovery endothelial cells RGD motif kunitz type inhibitor prostate cancer antioxidant natural marine compounds marine biotechnology microalgae marine sponges Aeroplysinin Isofistularin pheochromocytoma and paraganglioma metastasis cancer progression cell adhesion molecules integrin β1 hypoxia phycocyanin non-small cell lung cancer NF-κB signaling marine-derived drugs bioanalysis chromatography manzamine A epithelial-mesenchymal transition lung cancer circulating tumor cells signal transduction cisplatin Lampetra morii buccal gland cystatin F anti-angiogenesis cystatin superfamily Antimicrobial peptide (AMP) Tilapia piscidin 4 (TP4) non-small cell lung cancer (NSCLC) itampolin A FBDD p38α novel inhibitor tetracenomycin X cyclin D1 proteasomal degradation p38 c-JUN λ-carrageenan heparanase anticoagulant depolymerisation cell migration Aspergillus naphthopyrones endophytic fungus Leathesia nana mangrove-derived actinomycete ansamycins divergolides apoptosis-inducing activity actinomycin EMT invasion low molecular weight fucoidan extract N-Ras neuroblastoma-rat sarcoma Cancer programmed cell death-ligand 1 programmed cell death-ligand 2 human sarcoma cell line (HT1080 cells) human normal diploid fibroblast (TIG-1 cells) chimera chemical conjugation anticancer agent hybridization α9-nicotinic acetylcholine receptors (nAChRs) breast cancer cells αO-conotoxin GeXIVA targeted therapy gorgonian Leptogorgia humulane sesquiterpenoids anticancer activity 12-deacetyl-12-epi-scalaradial HeLa cells Nur77 MAPK/ERK pathway Mycalin A C15 acetogenins synthetic analogues antiproliferative activity A375 and HeLa cell lines polyoxygenated steroids sponge Haliclona gracilis Thalassia testudinum thalassiolin B polyphenols CYP1A1 benzo[a]pyrene JNK1/2 natural products synergism A549 cells cytoskeleton P2X7 receptor pollution anti-angiogenic gene expression HSP90 inhibitor |
Formato | Materiale a stampa ![]() |
Livello bibliografico | Monografia |
Lingua di pubblicazione | eng |
Record Nr. | UNINA-9910557339303321 |
Honecker Friedemann
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Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 | ||
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Lo trovi qui: Univ. Federico II | ||
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Marine Drug Research in China: Selected Papers from the 15-NASMD Conference |
Autore | Zhou Xuefeng |
Pubbl/distr/stampa | Basel, : MDPI Books, 2022 |
Descrizione fisica | 1 electronic resource (512 p.) |
Soggetto topico | Medicine |
Soggetto non controllato |
Antarctic krill (Euphausia superba)
peptide antioxidant activity stability oyster plasma peptidome antimicrobial peptides cytotoxicity actinomycete piericidins absolute configuration Pestalotiopsis heterocornis heterocornols anti-inflammatory activity sponge-derived fungus sclerotides lipodepsipeptide Aspergillus sclerotiorum nasopharyngeal carcinoma AChE inhibitory vascular endothelial cell flavonoid oxidized low-density lipoprotein Nrf2 apoptosis butyrolactone I food allergy metabolism pharmacokinetics actinomycin X2 microbial pigments dyeing silk antibacterial properties PD-L1 virtual screening pharmacophore modeling ADME molecular dynamics xanthones ascidian-derived fungus Diaporthe sp anti-glioma activity antiaging Sonneratia apetala signaling pathway Caenorhabditis elegans mutants coral-derived fungi Aspergillus hiratsukae meroterpenoids antibacterial activity cytotoxic activity deep-sea-derived fungus Aspergillus puniceus isoquinoline alkaloid protein tyrosine phosphatase inhibitor antibacterial Aspergillus sp geodin semisynthesize insecticidal activity Arca inflata antitumor peptide MAPK signaling calmodulin colorectal cancer methicillin-resistant Staphylococcus aureus actinomycin D Streptomyces parvulus mechanism mangrove endophytic Pestalotiopsis Sdy-1 antitumor activity Wnt signaling β-catenin eremophilane sesquiterpenoids mangrove-derived fungus Penicillium sp Oceanapia sponge secondary metabolites biological activities drug design anticancer cyclic pentapeptide galaxamide analogues skipjack tuna (Katsuwonus pelamis) muscle angiotensin-I-converting enzyme (ACE) peptide molecular docking nitric oxide (NO) endothelin-1 (ET-1) Trichoderma longibrachiatum sesquiterpene glycoside antimicrobial activity marine fungi Aspergillus unguis depsides depsidones osteoclast differentiation soft-coral-derived fungus pyranodipyran derivatives tyrosyl DNA phosphodiesterase 1 inhibitory activities fluorescent properties butenolides enantiomers Aspergillus terreus pancreatic lipase NAFLD fucoxanthin adenosine monophosphate-activated protein kinase (AMPK) nuclear factor erythroid-2-related factor 2-mediated (Nrf2) Toll-like receptor 4-mediated (TLR4) Aspergillus flavipes HN4-13 emodin macroporous resin XAD-16 adsorption kinetics and isotherms enrichment tetramic acid derivatives deep-sea fungus clavipitacae Lecanicillium fusisporum chronic kidney disease fucoidan cognitive dysfunction neuroinflammation oxidative stress GSK3β-Nrf2-HO-1 signaling microglial polarization deep-sea actinomycetes aromatic acids oximes antihyperlipidemic phycocyanin microbiota transcriptome IL-17 pathway Hahella prodiginine chejuenlide genome mining LC-MS/MS CDK4/6 marine compounds pharmacophore construction ADMET mm-pbsa |
Formato | Materiale a stampa ![]() |
Livello bibliografico | Monografia |
Lingua di pubblicazione | eng |
Altri titoli varianti | Marine Drug Research in China |
Record Nr. | UNINA-9910595071903321 |
Zhou Xuefeng
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Basel, : MDPI Books, 2022 | ||
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Lo trovi qui: Univ. Federico II | ||
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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 |
Wade Rebecca
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MDPI - Multidisciplinary Digital Publishing Institute, 2019 | ||
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Lo trovi qui: Univ. Federico II | ||
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Recent Developments in Cancer Systems Biology |
Autore | Sinha Raghu |
Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 |
Descrizione fisica | 1 electronic resource (272 p.) |
Soggetto topico | Medicine |
Soggetto non controllato |
Sestrin2
lung cancer knockdown cancer progression bioinformatics patient survival lung adenocarcinoma circulating miR-1246 glycosaminoglycan binding prognosis PI3K-Akt signaling pathways TargetScan UBE2C cancer systems biology experimental model systems next-generation sequencing single-cell sequencing patient-derived xenografts patient-derived organoids triple-negative breast cancer personalized medicine computational methods drug repurposing clinical trials cancer stem cells ETS Elk-1 stem cell microarray brain-tumor-initiating cell (BTIC) pancreatic cancer systems biology omics biomarker genomics transcriptomics proteomics metabolomics glycomics metagenomics Ets PEA3 Ets-1 glioma optical genome mapping solid tumors cancer genomics breast ovarian cancer TCGA non-small-cell lung cancer lung adenocarcinoma (LUAD) lung squamous cell carcinoma (LUSC) differential expression SNV CNV risk group signature survival renal cancers protein interactome diagnostic biomarker prognostic biomarker virtual screening docking acute myeloid leukemia Boolean model drug resistance network |
Formato | Materiale a stampa ![]() |
Livello bibliografico | Monografia |
Lingua di pubblicazione | eng |
Record Nr. | UNINA-9910557768503321 |
Sinha Raghu
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Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 | ||
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Lo trovi qui: Univ. Federico II | ||
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Recent Developments on Protein–Ligand Interactions : From Structure, Function to Applications |
Autore | de Brevern Alexandre G |
Pubbl/distr/stampa | Basel, : MDPI - Multidisciplinary Digital Publishing Institute, 2022 |
Descrizione fisica | 1 electronic resource (282 p.) |
Soggetto topico |
Research & information: general
Biology, life sciences Biochemistry |
Soggetto non controllato |
pimaricin thioesterase
protein-substrate interaction macrocyclization molecular dynamics (MD) simulation pre-reaction state folate folate receptor peptide conjugation click reaction biolayer interferometry acetylcholinesterase resistance organophosphorus pesticides molecular modeling lepidopterous insects conserved patterns similarity 3D-patterns epigenetics protein-RNA interaction RRM domain inhibitor NMR fragment-based screening TDP-43 galectin-1 gulopyranosides fluorescence polarization benzamide selective phospholipase C gamma 1 SLP76 virtual screening pharmacophore mapping molecular docking molecular dynamics caspase inhibition protein-ligand binding free energy Monte Carlo sampling docking and scoring molecular conformational sampling procollagen C-proteinase enhancer-1 glycosaminoglycans computational analysis of protein-glycosaminoglycan interactions calcium ions fragment-based docking protein–ligand analysis drug discovery and design structure–activity relationships bioremediation High Energy Molecules HMX protein design nitroreductase flavoprotein substrate specificity pharmacophore secretoglobin odorant-binding protein chemical communication pheromone N-phenyl-1-naphthylamine in silico docking protein–ligand interactions 2D interaction maps ligand-binding assays protein-ligand complexes dataset clustering structural alignment refinement PD-1/PD-L1 immune checkpoint inhibitors biphenyl-conjugated bromotyrosine amino acid conjugation amino-X in silico simulation IC50 |
Formato | Materiale a stampa ![]() |
Livello bibliografico | Monografia |
Lingua di pubblicazione | eng |
Altri titoli varianti |
Recent Developments on Protein–Ligand Interactions
Recent Developments on ProteinâLigand Interactions |
Record Nr. | UNINA-9910566462703321 |
de Brevern Alexandre G
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Basel, : MDPI - Multidisciplinary Digital Publishing Institute, 2022 | ||
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Lo trovi qui: Univ. Federico II | ||
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Synthesis of Marine Natural Products and Molecules Inspired by Marine Substances II |
Autore | Manzo Emiliano |
Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 |
Descrizione fisica | 1 electronic resource (111 p.) |
Soggetto topico |
Research & information: general
Chemistry |
Soggetto non controllato |
In-silico drug design
virtual screening Avicennia alba gag polyprotein homology modeling ADMET molecular dynamics simulation divergent total synthesis marine natural products tetracyclic meroterpenoids aureol (−)-majusculoic acid anti-inflammation LPS CCK-8 animal studies marine alkaloids biological activity cancer cardiovascular diseases inflammation chemical synthesis ilamycins rufomycins cyclomarins tuberculosis malaria cyclopeptides biosynthesis total synthesis natural products |
Formato | Materiale a stampa ![]() |
Livello bibliografico | Monografia |
Lingua di pubblicazione | eng |
Record Nr. | UNINA-9910557724503321 |
Manzo Emiliano
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Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 | ||
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Lo trovi qui: Univ. Federico II | ||
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The Chemistry of Biofilms and Their Inhibitors |
Autore | Sousa Sergio F |
Pubbl/distr/stampa | Frontiers Media SA, 2020 |
Descrizione fisica | 1 electronic resource (141 p.) |
Soggetto topico | Science: general issues |
Soggetto non controllato |
biofilms
virtual screening antibiotics antimicrobials bacterial infections |
Formato | Materiale a stampa ![]() |
Livello bibliografico | Monografia |
Lingua di pubblicazione | eng |
Record Nr. | UNINA-9910557308603321 |
Sousa Sergio F
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Frontiers Media SA, 2020 | ||
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Lo trovi qui: Univ. Federico II | ||
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Virtual Drug Design |
Autore | Schuster Daniela |
Pubbl/distr/stampa | Frontiers Media SA, 2020 |
Descrizione fisica | 1 electronic resource (336 p.) |
Soggetto topico | Science: general issues |
Soggetto non controllato |
drug discovery
virtual screening activity profiling target prediction molecular modeling |
Formato | Materiale a stampa ![]() |
Livello bibliografico | Monografia |
Lingua di pubblicazione | eng |
Record Nr. | UNINA-9910557526703321 |
Schuster Daniela
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Frontiers Media SA, 2020 | ||
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Lo trovi qui: Univ. Federico II | ||
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