Keywords: غربالگری مجازی مبتنی بر ساختار; Steroids; Target prediction; Structure-based virtual screening; Inverse docking;
مقالات ISI غربالگری مجازی مبتنی بر ساختار (ترجمه نشده)
مقالات زیر هنوز به فارسی ترجمه نشده اند.
در صورتی که به ترجمه آماده هر یک از مقالات زیر نیاز داشته باشید، می توانید سفارش دهید تا مترجمان با تجربه این مجموعه در اسرع وقت آن را برای شما ترجمه نمایند.
در صورتی که به ترجمه آماده هر یک از مقالات زیر نیاز داشته باشید، می توانید سفارش دهید تا مترجمان با تجربه این مجموعه در اسرع وقت آن را برای شما ترجمه نمایند.
Keywords: غربالگری مجازی مبتنی بر ساختار; Structure-based virtual screening; ADMET prediction; Molecular docking; Molecular dynamics simulation; HDAC6-selective inhibitors; Carboxylic acid derivatives;
In silico selection and cell-based characterization of selective and bioactive compounds for androgen-dependent prostate cancer cell
Keywords: غربالگری مجازی مبتنی بر ساختار; ADT; androgen deprivation therapy; AR; androgen receptor; LBD; ligand binding domain; PCa; prostate cancer; SARM; selective androgen receptor modulator; VS; virtual screening; SBVS; structure-based virtual screening; WCRF; World Cancer Research Fund Inter
Keywords: غربالگری مجازی مبتنی بر ساختار; Proteasome inhibitors; Non-covalent; Peptide scaffold; Docking studies; Virtual screening; AMC; 7-amino-4-methylcoumarin; ChT-L; chymotrypsin-like; DMSO; dimethylsulfoxide; HMBC; Heteronuclear multi-bond correlations; HSQC; Heteronuclear single-quantum co
Keywords: غربالگری مجازی مبتنی بر ساختار; Structure-based drug discovery; Homology modeling; Ligand docking; Virtual screening; Protein flexibility; Active site water molecules; GPCR; G Protein-coupled receptor; HM; homology modeling; HTD; high-throughput docking; LSHM; Ligand-steered homology mo
Keywords: غربالگری مجازی مبتنی بر ساختار; Sphingomyelin synthase; Small-molecule inhibitors; Structure-based virtual screening; AtherosclerosisSMS, Sphingomyelin synthase; SM, Sphingomyelin; D609, potassium tricyclo[5.2.1.0(2,6)]-decan-8-yl dithiocarbonate; 3D-hSMS1, three-dimensional structure o
Keywords: غربالگری مجازی مبتنی بر ساختار; NAM; negative allosteric modulator; nAChRs; neuronal nicotinic acetylcholine receptors; HBK; HEPES-buffered Krebs; LBVS; ligand-based virtual screening; SBVS; structure-based virtual screening; SAR; structure-activity relationship; nh; Hill coefficient;
Repurposing of Proton Pump Inhibitors as first identified small molecule inhibitors of endo-β-N-acetylglucosaminidase (ENGase) for the treatment of NGLY1 deficiency, a rare genetic disease
Keywords: غربالگری مجازی مبتنی بر ساختار; NGLY1; endo-β-N-Acetylglucosaminidase (ENGase) inhibitors; Drug repurposing; Structure-based virtual screening; Proton Pump Inhibitors;
Novel anti-prostate cancer scaffold identified by the combination of in silico and cell-based assays targeting the PI3K-AKT-mTOR pathway
Keywords: غربالگری مجازی مبتنی بر ساختار; AKT; protein kinase B; AR; androgen receptor; mTOR; mammalian target of rapamycin; PI3K; phosphatidylinositol-3-kinase; S6; ribosomal protein S6 kinase; SAR; structureactivity relationship; SBVS; structure-based virtual screening; In silico screening; Pro
In silico identification, design and synthesis of novel piperazine-based antiviral agents targeting the hepatitis C virus helicase
Keywords: غربالگری مجازی مبتنی بر ساختار; Structure-based virtual screening; HCV NS3-helicase; Piperazine derivatives; Anti-HCV activity; NS3 helicase inhibitors;
Computational identification of potent inhibitors for Streptomycin 3â³-adenylyltransferase of Serratia marcescens
Keywords: غربالگری مجازی مبتنی بر ساختار; Serratia marcescens; Homology modeling; Structure-based virtual screening; Density functional theory and molecular dynamics simulation;
Identification of novel scaffolds for potential anti-Helicobacter pylori agents based on the crystal structure of H. pylori 3-deoxy-d-manno-octulosonate 8-phosphate synthase (HpKDO8PS)
Keywords: غربالگری مجازی مبتنی بر ساختار; Structure-based virtual screening; Docking simulation; Enzyme inhibitors; X-ray crystallography; NMR spectroscopyKDO8PS, 3-deoxy-d-manno-octulosonate-8-phosphate synthase; PEP, phosphoenolpyruvate; A5P, d-arabinose-5-phosphate; HpKDO8PS, KDO8PS from Helic
Computer-aided identification, synthesis and evaluation of substituted thienopyrimidines as novel inhibitors of HCV replication
Keywords: غربالگری مجازی مبتنی بر ساختار; Structure-based virtual screening; Substituted thieno-pyrimidines; Anti-HCV activity;
Novel non-peptide small molecules preventing IKKβ/NEMO association inhibit NF-κB activation in LPS-stimulated J774 macrophages
Keywords: غربالگری مجازی مبتنی بر ساختار; ADME; absorption, distribution, metabolism, and excretion; DMEM; Dulbecco's modified Eagle's medium; DMSO; dimethyl sulfoxide; EMSA; Electrophoretic Mobility Shift Assay; Erk; extracellular-signal-related kinase; FBS; foetal bovine serum; GAPDH; glyce
In silico structure-based design and synthesis of novel anti-RSV compounds
Keywords: غربالگری مجازی مبتنی بر ساختار; Antiviral; Respiratory syncytial virus; Structure-based virtual screening; Zinc-ejecting compounds;
Discovery of novel antagonists of glycoprotein IIb/IIIa-mediated platelet aggregation through virtual screening
Keywords: غربالگری مجازی مبتنی بر ساختار; Glycoprotein IIb/IIIa receptor; Structure-based pharmacophore screening; Structure-based virtual screening; Platelet aggregation; Small molecules;
Discovery of novel inhibitors of vascular endothelial growth factor-A–Neuropilin-1 interaction by structure-based virtual screening
Keywords: غربالگری مجازی مبتنی بر ساختار; BJJOJFPJEIFDRB-UHFFFAOYSA-NNeuropilin; VEGF; Angiogenesis; Protein–protein interactions inhibitors; Structure-based virtual screening
Identification of methyl violet 2B as a novel blocker of focal adhesion kinase signaling pathway in cancer cells
Keywords: غربالگری مجازی مبتنی بر ساختار; Focal adhesion kinase; Methyl violet 2B; FAK signaling blocker; Structure-based virtual screening; FER phosphorylation inhibition; Adhesion/migration/invasion suppression;
Structure based virtual screening-driven identification of monastrol as a potent urease inhibitor
Keywords: غربالگری مجازی مبتنی بر ساختار; Urease inhibitors; Structure-based virtual screening; Monastrol; Dihydropyrimidines; Docking
Identification of a novel serum and glucocorticoid regulated kinase-1 (SGK1) ligand from virtual screening
Keywords: غربالگری مجازی مبتنی بر ساختار; SGK1; Foxo3a; Kinase assay; Docking; Structure-based virtual screening;
Identification of novel protein kinase CK1 delta (CK1δ) inhibitors through structure-based virtual screening
Keywords: غربالگری مجازی مبتنی بر ساختار; Protein kinase CK1 delta; Kinase inhibitors; Structure-based virtual screening; Molecular docking
Identification of novel ligands for the RNA pseudoknot that regulate −1 ribosomal frameshifting
Keywords: غربالگری مجازی مبتنی بر ساختار; Structure-based virtual screening; −1 Ribosomal frameshifting; RNA pseudoknot; Biotin aptamer
Structure-based virtual screening against SARS-3CLpro to identify novel non-peptidic hits
Keywords: غربالگری مجازی مبتنی بر ساختار; Structure-based virtual screening; Gold; Asinex; SARS-3CLpro inhibitor
Is it possible to increase hit rates in structure-based virtual screening by pharmacophore filtering? An investigation of the advantages and pitfalls of post-filtering
Keywords: غربالگری مجازی مبتنی بر ساختار; Flo+; Surflex; FRED; Enrichment factor; Docking performance; Structure-based virtual screening; Pharmacophore filtering