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Computational Approaches: Drug Discovery and Design in Medicinal Chemistry and Bioinformatics
| 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 online resource (387 p.) |
| Soggetto topico |
Chemistry
Research & information: general |
| Soggetto non controllato |
3CL-Pro
3D-QSAR acetylcholinesterase aging progression mechanism Alzheimer's disease aminophenylbenzamide antibody:antigen interactions antivirals binding free energies binding site binding space carbon nanotubes cholesterol computational biology consensus models COVID-19 COX-2 inhibitors deep learning diabetes docking simulations doxorubicin encapsulation drug delivery system drug discovery drug repositioning drug repositioning approaches drug repurposing drug resistance drug-resistance mutations dual mode of action dual-target lead discovery epitope binning epitope mapping epitope prediction FimH fingerprints gene expression signature genome-wide genetic and epigenetic network (GWGEN) glycoprotein D (gD) haeckelite defects HDACs hERG toxicity herpes simplex virus fusion proteins high-throughput virtual screening HIV-2 protease homology modeling hTSPO human dihydrofolate reductase immunoproteasome in silico induced structural deformations induced-fit docking inhibitors isoform-selective histone deacetylase inhibitors isomeric space ligand-based model machine learning main protease MD binding MD simulation metadynamics methotrexate molecular docking molecular dynamics molecular dynamics (MD) simulation molecular dynamics simulation molecular dynamics simulations molecular modeling MRP4 multi-modal multiple-molecule drug multiprotein inhibiting natural compounds multiscale multitargeting mutants Mycobacterium tuberculosis n/a natural compounds neurodegenerative disorders nicotinic acetylcholine receptor non-covalent inhibitors noncovalent interactions oxidative stress PF-00835231 pharmacophore model pharmacophore modeling PK11195 polypharmacology proteasome protein docking protein threading modeling proteomic signature RNA expression regulation SARS-CoV-2 skin aging SNPs sodium-glucose co-transporters 2 Src inhibitors Stone-Wales defects structural bioinformatics structural characterization systems medicine design tuberculosis urinary tract infections uropathogenic bacteria variants virtual screening |
| 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 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Marine Compounds and Cancer 2020
| Marine Compounds and Cancer 2020 |
| Autore | Honecker Friedemann |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 |
| Descrizione fisica | 1 online resource (480 p.) |
| Soggetto topico | Medicine and Nursing |
| Soggetto non controllato |
12-deacetyl-12-epi-scalaradial
3-alkylpyridinium polymers A375 and HeLa cell lines A549 cells ABC transporter actinomycin AD0157 adriamycin resistance Aeroplysinin Akt angiogenesis angiogenesis inhibitor ansamycins anthranilic acid anti-angiogenesis anti-angiogenic anti-cancer anti-metastatic activity anti-proliferation anti-proliferative antiangiogenesis antiangiogenic antibacterial Antibody Drug Conjugates (ADCs) anticancer anticancer activity anticancer agent anticancer immunity anticarcinogenic anticoagulant anticoagulation antifouling Antimicrobial peptide (AMP) antioxidant antiproliferative antiproliferative activity antitumor antitumor activities antitumoral antitumour AP-1 apoptosis apoptosis-inducing activity approved antitumor agents araguspongine C arrest of cell cycle Aspergillus autophagy autophagy inducers autophagy inhibitors azoxymethane BCRP/ABCG2 BEL-7402 cell benzo[a]pyrene bioactive natural product bioanalysis bis (2,3-dibromo-4,5-dihydroxy-phenyl)-methane (BDDPM) bonnethead shark breast cancer breast cancer cells Brevianamide brominated indoles bromophenol buccal gland c-JUN c-Met C15 acetogenins camptothecin cancer Cancer cancer genes cancer preventive cancer progression Cantabrian Sea-derived actinobacteria carbocyclic analogue carcinoembryonic antigen Caribbean sponge carotenoid carotenoids caspase cascade cell adhesion cell adhesion molecules cell cycle cell cycle arrest cell migration cembranoids chemical conjugation chemoprevention chemopreventive chemosensitization chemotherapy chimera CHOP chromatography circulating tumor cells cisplatin clinical trials colorectal cancer cooperative binding cyclin D1 cyclin-dependent kinase CYP1A1 cystatin F cystatin superfamily cytokine release cytoskeleton cytotoxic activity cytotoxicity deep-sea depolymerisation dibromotyrosine dieckol divergolides DNA minor groove binder drug discovery Ecklonia cava elisidepsin EMT endoperoxide endophytic fungus endothelial cells energy stress epigonal organ epithelial-mesenchymal transition ER-stress ET-743 evolution FAK fascaplysin fatty acid 2-hydroxylase fatty acids FAU FBDD fucoidan fucoxanthin fumigaclavine C gemcitabine gene expression glioblastoma gliotoxin glucocorticoid receptor glycosaminoglycans gorgonian Haliclona gracilis HeLa cells heparan sulphate heparanase hepatocellular carcinoma HER2 HIF-1 hippuristanol HSP90 human lung cancer human normal diploid fibroblast (TIG-1 cells) human sarcoma cell line (HT1080 cells) humulane sesquiterpenoids hybridization hydroxylated lipids hypoxia hypoxia-inducible factor-1 IL-6 in vivo model inflammation inhibitor integrin β1 invasion isatin Isofistularin itampolin A jaspine B JNK1/2 Jurkat kalkitoxin kunitz type inhibitor Lampetra morii Leathesia nana Leptogorgia leukemia lipid rafts low molecular weight fucoidan extract low toxic LS-1 lung cancer lung metastasis Lyngbya majuscula macrolide mangrove-derived actinomycete manzamine A MAPK/ERK pathway marangucyclines marine antitumor agents marine biotechnology marine compound marine drug marine drugs marine fungus marine metabolites marine mollusc marine natural products marine organisms marine sponges marine-derived drugs Marthasterias glacialis L. MCP-1 mechanisms of action melanoma membrane permeabilization metastasis microalgae Micromonospora migration mitochondria mitochondria toxin mitochondrial pathway mitochondrial dysfunction molecular docking molecular mechanisms molecular modeling molecular oncology Moorea producens MRP1/ABCC1 multi-drug resistant leukemia multidrug resistance Mycalin A Mycochromenic acid derivative N-Ras n/a nanoparticle naphthopyrones natural marine compounds natural product natural products neuroblastoma-rat sarcoma NF-κB NF-κB signaling nicotine nicotinic acetylcholine receptor non-small cell lung cancer non-small cell lung cancer (NSCLC) non-small cell lung carcinoma nonfunctioning pituitary adenomas novel inhibitor NSCLC Nur77 osteosarcoma oxidative stress oxidative stress P-gp/ABCB1 P2X7 receptor p38 p38/ERK p38α p65 pachastrissamine palmitic acid paulomycins pazopanib PEL Penicillium brevicompactum Penicillium paneum phase I pheochromocytoma and paraganglioma phlorotannins phycocyanin PI3K/Akt plakortide plitidepsin pollution poly(ADP-ribose)-polymerase inhibitor polyoxygenated steroids polyphenols polysaccharides Porifera porifera/sponge preclinical programmed cell death programmed cell death-ligand 1 programmed cell death-ligand 2 proliferation prostate cancer proteasomal degradation proteomic pseudopterosin puupehenones pyrrolidinedione reactive oxygen species RGD motif ribosomal protein genes ROS RPS30 safety Sarcophyton ehrenbergi sea anemone sea cucumbers seaweed secondary metabolites sediment selenium-containing polysaccharide-protein complex Sepia ink polysaccharides shrimp signal transduction sinulariolide sipholenol A small cell lung cancer SNORA62 snoRNA SNU-C5/5-FU soft coral soft tissue sarcoma soft tissue sarcoma sphingosine kinase inhibitor sponge sponges STAT3 Streptomyces sp. SCSIO 11594 synergism synthetic analogues SZ-685C targeted therapy terpenes tetracenomycin X TGF-β signaling Thalassia testudinum thalassiolin B therapeutic compounds Tilapia piscidin 4 (TP4) TNFα Topo I inhibitor topoisomerase trabectedin triterpene glycosides TRPM7 tumor cell line tumor microenvironment tumor-associated macrophages Ulva fasciata uveal melanoma VEGF virtual screening xyloketal B α9-nicotinic acetylcholine receptors (nAChRs) αO-conotoxin GeXIVA β1-integrin λ-carrageenan |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910557339303321 |
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Honecker Friedemann
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| Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||