Keywords: درون رایانه‌ای، این سیلیکو; Functionalized piperidines; Green synthesis; Acetylcholinesterase (AChE) inhibition; Pharmacophore; Docking; In silico;
مقالات ISI درون رایانه‌ای، این سیلیکو (ترجمه نشده)
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Keywords: درون رایانه‌ای، این سیلیکو; Urease; Barbituric; Thiobarbituric; Jack bean; In silico; Triethyl orthoformate;
Keywords: درون رایانه‌ای، این سیلیکو; Biomarker; Computational modeling; Artificial neural network; Biophysical model; In silico; Schizophrenia; Bipolar disorder; Alzheimer's disease; Fragile X syndrome; Autism; Neuropathology; Drug discovery;
Keywords: درون رایانه‌ای، این سیلیکو; Dental enamel; Finite element analysis; Computer simulation; Moving particle simulation; In silico
Keywords: درون رایانه‌ای، این سیلیکو; Acetoin; Candida glabrata; Metabolic engineering; In silico; Cofactor engineering;
Keywords: درون رایانه‌ای، این سیلیکو; Carbon capture; In silico; Modelling; Optimisation; Solvent, design; Computer Aided Molecular Design (CAMD);
Keywords: درون رایانه‌ای، این سیلیکو; Stent malapposition; Coronary stents; Atherosclerosis; in silico; Wall shear stress;
Keywords: درون رایانه‌ای، این سیلیکو; HCP; homotopic cell pairs, cells labeled with same number on both sides of the model; Epilepsy; Synchronization; In vivo; In vitro; In silico;
Keywords: درون رایانه‌ای، این سیلیکو; Attractors; Boolean networks; Drug discovery; Fanconi anemia; In silico; Phenotypes; Target identificationAttracteurs; Réseaux booléens; Découverte de médicaments; Anémie de Fanconi; In silico; Phénotypes; Identification de cibles
Keywords: درون رایانه‌ای، این سیلیکو; Diselenides; Anti-cancer; Apoptosis; DNA-binding; In silico;
Keywords: درون رایانه‌ای، این سیلیکو; Biopharmaceutics classification system; Solubility; Biorelevant dissolution; Dose number; Poorly soluble; In silico;
Keywords: درون رایانه‌ای، این سیلیکو; Isoxazoles; Chemical synthesis; Classification model; Virtual screening; Antiproliferative activity; In silico;
Keywords: درون رایانه‌ای، این سیلیکو; Aromatic compounds; Biodegradation; In silico; Quorum sensing; Acyl homoserine lactone;
Keywords: درون رایانه‌ای، این سیلیکو; Allergenic cross-reactivity; In silico; Bioinformatics; Assessment criteria; False positives; False negatives; Sensitivity; Specificity;
Keywords: درون رایانه‌ای، این سیلیکو; Genotoxic impurities; In silico; (Q)SAR; Mutagenicity; ICH M7;
Keywords: درون رایانه‌ای، این سیلیکو; Bioremediation; Enzyme; PAH; In silico; Environmental chemistry;
Keywords: درون رایانه‌ای، این سیلیکو; HER3; Nanobody; in silico; Docking; Peptidomimetic;
Structural and functional modeling of viral protein 5 of Infectious Bursal Disease Virus
Keywords: درون رایانه‌ای، این سیلیکو; Infectious bursal disease virus; Viral protein 5; Function; In silico; Structure;
In silico analysis of virulence genes in an emerging dental pathogen A. baumannii and related species
Keywords: درون رایانه‌ای، این سیلیکو; A. baumannii; Virulence factor; Oral biofilm; PCR; In silico;
Characterization of regulatory elements in OsRGLP2 gene promoter from different rice accessions through sequencing and in silico evaluation
Keywords: درون رایانه‌ای، این سیلیکو; OsRGLP2 promoter; Rice; Sequencing; Regulatory elements; In silico;
Exploring the association of rs10490924 polymorphism with age-related macular degeneration: An in silico approach
Keywords: درون رایانه‌ای، این سیلیکو; ARMS2; Age-related macular degeneration; Rs10490924; In silico; Molecular dynamics; Ab initio;
Comment to the manuscript by Bacalhau et al. on “In silico prediction is insufficient to assess pathogenicity of mtDNA variants”
Keywords: درون رایانه‌ای، این سیلیکو; Mitochondrial; mtDNA; Phenotype; Genotype; In silico; Computational prediction; Pathogenicity;
In silico binding affinity studies of N-9 substituted 6-(4-(4-propoxyphenyl)piperazin-1-yl)-9H-purine derivatives-Target for P70-S6K1 & PI3K-δ kinases
Keywords: درون رایانه‌ای، این سیلیکو; Kinase; Binding affinity; In silico; Purine; P70-S6K1; PI3K-δ;
Incretin hormones receptor signaling plays the key role in antidiabetic potential of PTY-2 against STZ-induced pancreatitis
Keywords: درون رایانه‌ای، این سیلیکو; Glucagon-like peptide 1 receptor; Glucose-induced insulinotropic polypeptide receptor; In silico; In vivo; Insulin; Bcl 2;
Identification of T cell and B cell epitopes against Indian HCV-genotype-3a for vaccine development- An in silico analysis
Keywords: درون رایانه‌ای، این سیلیکو; Docking; Epitopes; Hepatitis C virus; Human leucocyte antigen; In silico;
1-[(4â²-Chlorophenyl) carbonyl-4-(aryl) thiosemicarbazide derivatives as potent urease inhibitors: Synthesis, in vitro and in silico studies
Keywords: درون رایانه‌ای، این سیلیکو; Synthesis; Thiosemicarbazide; Urease inhibitory activity; In vitro; Structure-activity relationship; In silico;
Genomic comparisons of Rhizobium species using in silico AFLP-PCR, endonuclease restriction, and AMPylating enzymes
Keywords: درون رایانه‌ای، این سیلیکو; AFLP-PCR; AMPylating enzymes; Fabaceae; In silico; Phylogenetic tree; Post-translational modifications; Restriction endonucleases; Restriction enzymes; Rhizobium proteome; Rhizobium species; Rhizobium-legume symbiosis;
Highly deleterious variations in COX1, CYTB, SCG5, FK2, PRL and PGF genes are the potential adaptation of the immigrated African ostrich population
Keywords: درون رایانه‌ای، این سیلیکو; In silico; In vitro; Missense mutations; Ostrich; SNPs;
Molecular mechanism of apoptosis induction in Jurkat E6-1 cells by Tribulus terrestris alkaloids extract
Keywords: درون رایانه‌ای، این سیلیکو; Tribulus terristris L.; Cytotoxicity; Apoptosis; N-feruloyltyramine; In silico;
Synthetic nicotinic/isonicotinic thiosemicarbazides: In vitro urease inhibitory activities and molecular docking studies
Keywords: درون رایانه‌ای، این سیلیکو; Synthesis; Nicotinic/isonicotinic; Thiosemicarbazide; Urease inhibition; In vitro; In silico; Structure-activity relationship;
Evaluation and optimized selection of supersaturating drug delivery systems of posaconazole (BCS class 2b) in the gastrointestinal simulator (GIS): An in vitro-in silico-in vivo approach
Keywords: درون رایانه‌ای، این سیلیکو; Supersaturation; Precipitation; Supersaturating drug delivery systems; Differential scanning calorimetry; Microscopy; In vivo; In vitro; In silico; Oral bioavailability; Oral drug absorption; Pharmacometrics; Bioequivalence;
5-Acetyl-6-methyl-4-aryl-3,4-dihydropyrimidin-2(1H)-ones: As potent urease inhibitors; synthesis, in vitro screening, and molecular modeling study
Keywords: درون رایانه‌ای، این سیلیکو; Dihydropyrimidinone; Synthesis; Urease enzyme; In vitro; Structure-activity relationship (SAR); In silico;
Revealing the molecular interactions of aptamers that specifically bind to the extracellular domain of HER2 cancer biomarker protein: An in silico assessment
Keywords: درون رایانه‌ای، این سیلیکو; Aptamers; Cancer therapeutics; Cancer diagnostics; HER2; In silico; Docking; MD simulations; SELEX;
Untargeted screening of phase I metabolism of combretastatin A4 by multi-tool analysis
Keywords: درون رایانه‌ای، این سیلیکو; Rat liver microsomes; Electrochemistry; LC-HRMS; Solid phase microextraction; In silico; Drug metabolism; Combretastatin A4;
Cholinesterase-inhibitory effect and in silico analysis of alkaloids from bulbs of Hieronymiella species
Keywords: درون رایانه‌ای، این سیلیکو; Amaryllidaceae; Hieronymiella; Cholinesterases; In silico; Alkaloids; Argentina; AChE; acetylcholinesterase enzyme; BChE; butyrylcholinesterase enzyme; E; extracts;
Directions in QPPR development to complement the predictive models used in risk assessment of nanomaterials
Keywords: درون رایانه‌ای، این سیلیکو; Nanomaterial; Modelling; In silico; QPPR; QNAR; Risk assessment;
In silico toxicity profiling of natural product compound libraries from African flora with anti-malarial and anti-HIV properties
Keywords: درون رایانه‌ای، این سیلیکو; 2D; two dimensional; 3D; three dimensional; Afro-HIV; dataset of molecules from African flora with known activities against the human immunodeficiency virus; AfroMalariaDb; dataset of anti-malarial compounds from African flora; DMPK; drug metabolism and p
Flurbiprofen derivatives as novel α-amylase inhibitors: Biology-oriented drug synthesis (BIODS), in vitro, and in silico evaluation
Keywords: درون رایانه‌ای، این سیلیکو; Biology-oriented drug synthesis; Flurbiprofen; α-Amylase; Novel inhibitors; In vitro; In silico; Structure-activity relationship;
2ʹ-Aryl and 4ʹ-arylidene substituted pyrazolones: As potential α-amylase inhibitors
Keywords: درون رایانه‌ای، این سیلیکو; Synthesis; Pyrazolone; α-Amylase enzyme; Inhibition; Acarbose; In vitro; In silico; Kinetic studies;
An in silico structural and physicochemical characterization of TonB-dependent copper receptor in A. baumannii
Keywords: درون رایانه‌ای، این سیلیکو; Acinetobacter baumannii; TonB-dependent copper receptor; In silico; 3D structure; Epitope;
2-Aryl benzimidazoles: Synthesis, In vitro α-amylase inhibitory activity, and molecular docking study
Keywords: درون رایانه‌ای، این سیلیکو; Benzimidazole; α-Amylase; In vitro; In silico; Structure-activity relationship (SAR);
Chemical, biological and molecular modelling analyses to probe into the pharmacological potential of Antidesma madagascariense Lam.: A multifunctional agent for developing novel therapeutic formulations
Keywords: درون رایانه‌ای، این سیلیکو; Urease; In silico; Cholesterol esterase; Acetylcholinesterase; xCELLigence; Mauritius;
Long chain fatty acid conjugation remarkably decreases the aggregation induced toxicity of Amphotericin B
Keywords: درون رایانه‌ای، این سیلیکو; Amphotericin B; Lipid conjugation; Self-aggregation; Nephrotoxicity; In silico; Molecular dynamic simulations;
Oil from the fruits of Pterodon emarginatus Vog.: A traditional anti-inflammatory. Study combining in vivo and in silico
Keywords: درون رایانه‌ای، این سیلیکو; 6α,7β-dihydroxy-vouacapan-17β-oic acid; Anti-inflammatory; in silico; in vivo; Pterodon emarginatus Vog.; Cyclooxygenase;
α-Adducin nsSNPs affect mRNA secondary structure, protein modification and stability
Keywords: درون رایانه‌ای، این سیلیکو; Alpha-adducin; nsSNP; In silico; Pathogenicity; mRNA;
Early life exposure to air pollution particulate matter (PM) as risk factor for attention deficit/hyperactivity disorder (ADHD): Need for novel strategies for mechanisms and causalities
Keywords: درون رایانه‌ای، این سیلیکو; Human induced pluripotent stem cells; Brain organoids; In silico; Physiologically-based pharmaco kinetic (PBPK); Chicken embryo model; Developmental neurotoxicity;
Proteolytic activity of recombinant DegP from Chromohalobacter salexigens BKL5
Keywords: درون رایانه‌ای، این سیلیکو; Bledug Kuwu; Circular dichroism; Gram negative; Halomonadaceae; Halophilic proteins; In silico; Moderately halophilic bacteria; Saline media; Serine protease; Size-exclusion chromatography; Volcano;
In silico identification of a therapeutic target for photo-activated disinfection with indocyanine green: Modeling and virtual screening analysis of Arg-gingipain from Porphyromonas gingivalis
Keywords: درون رایانه‌ای، این سیلیکو; Arg-gingipain; Bioinformatics; Endodontic infections; Indocyanine green; in silico; Periodontitis; Photo-activated disinfection; Porphyromonas gingivalis;
Acetylcholinesterase inhibitory assessment of isolated constituents from Salsola grandis Freitag, Vural & Adıgüzel and molecular modeling studies on N-acetyltryptophan
Keywords: درون رایانه‌ای، این سیلیکو; ACh; acetylcholine; AChE; acetylcholinesterase; AD; Alzheimer's disease; MPLC; medium pressure liquid chromatography; NMR; , nuclear magnetic resonance; SCC; silica gel column chromatography; TLC; thin layer chromatography; Salsola grandis; Chenopodiace
Discovery of novel inhibitors of multidrug-resistant Acinetobacter baumannii
Keywords: درون رایانه‌ای، این سیلیکو; AB_OmpW2; A. baumannii OmpW; MIC; minimum inhibitory concentration; MDR; multidrug-resistant; CFU; colony-forming units; Acinetobacter baumannii; In silico; Docking; Antibacterial; Outer membrane protein;