Keywords: طراحی داروهای منطقی; Alzheimer's disease; Caspase-3 inhibitors; Molecular docking; MD simulations; Rational drug design; AD; Alzheimer's disease; Aβ; amyloid-β; ESP; electrostatic potential; GAFF; General Amber Force Field; GSAP; gamma secretase activating protein; MD; mole
مقالات ISI طراحی داروهای منطقی (ترجمه نشده)
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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: طراحی داروهای منطقی; Disulfide-rich peptides; Model membranes; Pain; Rational drug design; Surface plasmon resonance; Sodium channel; Cryo-EM; cryo-electron microscopy; DOPG; 1,2-dioleoyl-sn-glycero-3-phosphoglycerol; DHPC; 1,2-diheptanoyl-sn-glycero-3-phosphocholine; GMT; ga
Keywords: طراحی داروهای منطقی; Homology modelling; Rational drug design; Prostate cancer; Androgen-receptor
Structure-activity relationships of rationally designed AMACR 1A inhibitors
Keywords: طراحی داروهای منطقی; α-Methylacyl-CoA racemase (AMACR, P504S); Drug lipophilicity; Enzyme inhibitors; Rational drug design; Structure-activity relationships; AMACR; α-methylacyl-CoA racemase; CDI; carbonyldiimidazole; DAST; (Diethylamino)sulfur trifluoride; DCC; Dicyclohexy
The role of natural selection in shaping genetic variation in a promising Chagas disease drug target: Trypanosoma cruzi trans-sialidase
Keywords: طراحی داروهای منطقی; Trypanosoma cruzi; Trans-sialidase; Rational drug design; Genetic variation; Natural selection; Chagas disease; Triatoma dimidiata; Triatoma nitida;
Crystal structure of the Eg5 - K858 complex and implications for structure-based design of thiadiazole-containing inhibitors
Keywords: طراحی داروهای منطقی; 1,3,4-thiadiazole; K858 enantiomers; Eg5; Antimitotic drugs; Eg5-K858 complex; Rational drug design; KSP; Kinesin spindle protein; MT; Microtubule; PDB; Protein Data Bank; PK; Pyruvate kinase; LDH; Lactate dehydrogenase; ITC; Isothermal titration calorime
Biobetters From an Integrated Computational/Experimental Approach
Keywords: طراحی داروهای منطقی; Rational drug design; Molecular dynamics; Docking; Potential of mean force; Free energy perturbation;
Discovery of a potent dual ALK and EGFR T790M inhibitor
Keywords: طراحی داروهای منطقی; ALK; EGFR T790M; Dual inhibitor; Non-small cell lung cancer; Rational drug design;
Discovery of selective inhibitors of tyrosyl-DNA phosphodiesterase 2 by targeting the enzyme DNA-binding cleft
Keywords: طراحی داروهای منطقی; Tyrosyl-DNA phosphodiesterase 2; TDP2; Inhibitor; Virtual screening; Rational drug design;
Discovery and preliminary structure-activity relationship of 1H-indazoles with promising indoleamine-2,3-dioxygenase 1 (IDO1) inhibition properties
Keywords: طراحی داروهای منطقی; Indoleamine 2,3-dioxygenase 1 (IDO1); 1H-Indazoles; Cancer immunotherapy; Small-molecular inhibitors; Rational drug design;
O-alkylhydroxylamines as rationally-designed mechanism-based inhibitors of indoleamine 2,3-dioxygenase-1
Keywords: طراحی داروهای منطقی; IDO1 inhibition; O-alkylhydroxylamines; Antitumor therapy; Rational drug design; IDO1; indoleamine 2,3-dioxygenase isoform-1; Trp; tryptophan; UV-vis; ultraviolet-visible; CYP3A4; cytochrome P-450 isoform 3A4;
Advances in rationally designed dual inhibitors of HIV-1 reverse transcriptase and integrase
Keywords: طراحی داروهای منطقی; HIV; AIDS; Reverse transcriptase; Integrase; Rational drug design; Dual inhibitors;
Structure-based grafting and identification of kinase–inhibitors to target mTOR signaling pathway as potential therapeutics for glioblastoma
Keywords: طراحی داروهای منطقی; Rational drug design; mTOR; Kinase–inhibitor; Glioblastoma
Insights towards sulfonamide drug specificity in α-carbonic anhydrases
Keywords: طراحی داروهای منطقی; Carbonic anhydrase inhibition; CA II; CA IX; Cancer; Rational drug design
Stepwise identification of potent antimicrobial peptides from human genome
Keywords: طراحی داروهای منطقی; Antibiotics; Infection; Antibacterial agent; Bioinformatics; Rational drug design
Chromatographic retention parameters in correlation analysis with in silico biological descriptors of a novel series of N-phenyl-3-methyl succinimide derivatives
Keywords: طراحی داروهای منطقی; Succinmides; Reversed-phase thin layer chromatography; In silico ADMETox determination; QSRR/QSAR – quantitative structure–retention/activity relationships; Rational drug design
CURRENT PROGRESS IN STRUCTURE-BASED RATIONAL DRUG DESIGN MARKS A NEW MINDSET IN DRUG DISCOVERY
Keywords: طراحی داروهای منطقی; Rational drug design; virtual screening; protein kinase; G-protein coupled receptors; ligand binding thermodynamics
Regulation of the equilibrium between G-quadruplex and duplex DNA in promoter of human c-myc oncogene by a pyrene derivative
Keywords: طراحی داروهای منطقی; G-quadruplex; c-myc; Pyrene derivatives; Rational drug design; Transcription control;
X-ray structures of checkpoint kinase 2 in complex with inhibitors that target its gatekeeper-dependent hydrophobic pocket
Keywords: طراحی داروهای منطقی; Rational drug design; Structure-based drug design; Kinase inhibitors;
Crystal structure of the C183S/C217S mutant of human CA VII in complex with acetazolamide
Keywords: طراحی داروهای منطقی; Crystal structure; Human carbonic anhydrase VII; Inhibitors; Protein–inhibitor complex; Rational drug design
Subtle structural differences between human and mouse PAI-1 reveal the basis for biochemical differences
Keywords: طراحی داروهای منطقی; Plasminogen activator inhibitor-1; PAI-1; Serpin; Crystal structure; Rational drug design
Increasingly accurate dynamic molecular models of G-protein coupled receptor oligomers: Panacea or Pandora's box for novel drug discovery?
Keywords: طراحی داروهای منطقی; GPCRs; Dimers; Computational methods; Molecular modeling; Rational drug design
Discovery and structure–activity relationships of pentanedioic acid diamides as potent inhibitors of 11β-hydroxysteroid dehydrogenase type I
Keywords: طراحی داروهای منطقی; Pentanedioic acid diamides; 11β-Hydroxysteroid dehydrogenase type I inhibitors; Rational drug design; Lead optimisation
Purinergic P2X7 receptor antagonists: Chemistry and fundamentals of biological screening
Keywords: طراحی داروهای منطقی; P2X7 antagonists; Cytokine release; Rational drug design; LL-37
High quality structure of cleaved PAI-1-stab
Keywords: طراحی داروهای منطقی; PAI-1; Plasminogen activator inhibitor-1; Serpin; Crystal structure; Rational drug design;
Rational drug design
Keywords: طراحی داروهای منطقی; Rational drug design; Computer aided drug design; Drug targets; Gene drug toxicity; Bioinformatics tools; Docking; Lead drug like molecule; Ancient approach
Rational design, synthesis and characterization of potent, non-peptidic Smac mimics/XIAP inhibitors as proapoptotic agents for cancer therapy
Keywords: طراحی داروهای منطقی; XIAP; Smac; Apoptosis; Oncology; Rational drug design; Crystallography; NMR; Medicinal chemistry
Cubyl amides: Novel P2X7 receptor antagonists
Keywords: طراحی داروهای منطقی; P2X7 antagonists; Polycyclic benzamides; Rational drug design; Microglia
2-Oxo-tetrahydro-1,8-naphthyridines as selective inhibitors of malarial protein farnesyltransferase and as anti-malarials
Keywords: طراحی داروهای منطقی; Malaria; P. falciparum; Anti-malarials; Protein farnesyltransferase; Drug discovery; Rational drug design
Model of the extracellular domain of the human α7 nAChR based on the crystal structure of the mouse α1 nAChR extracellular domain
Keywords: طراحی داروهای منطقی; nAChR, nicotinic acetylcholine receptor; ECD, extracellular domain; ACh, acetylcholineα7 nAChR; α1 nAChR; Homology model; Structure; Extracellular domain; Ligand-binding domain; Rational drug design
The importance of CH/π hydrogen bonds in rational drug design: An ab initio fragment molecular orbital study to leukocyte-specific protein tyrosine (LCK) kinase
Keywords: طراحی داروهای منطقی; CH/π hydrogen bond; Weak hydrogen bond; An ab initio fragment molecular orbital method; Weak molecular interaction; Leukocyte-specific protein tyrosine (LCK) kinase; Rational drug design; Structure based drug design; Kinase inhibitor
Synthesis, binding properties and receptor docking of 4-halo-6-[2-(4-arylpiperazin-1-yl)ethyl]-1H-benzimidazoles, mixed ligands of D2 and 5-HT1A receptors
Keywords: طراحی داروهای منطقی; Dopamine receptor; Serotonin receptor; Rational drug design
Guiding farnesyltransferase inhibitors from an ECLiPS® library to the catalytic zinc
Keywords: طراحی داروهای منطقی; Anti-cancer; Catalytic zinc; Farnesyltransferase; Rational drug design; Solution-phase synthesis; X-ray crystallography;
In silico identification and biochemical characterization of novel inhibitors of NQO1
Keywords: طراحی داروهای منطقی; NQO1; Inhibitors; Rational drug design; Virtual screening; Docking; Scoring functions
Characterization of amino acid variation at strategic positions in parasite and human proteases for selective inhibition of falcipains in Plasmodium falciparum
Keywords: طراحی داروهای منطقی; Falcipain; Biochemical characterization; Homology modeling; Rational drug design; Site-directed mutagenesis;
The legacy of the past, the reality of the present and the hopes of the future
Keywords: طراحی داروهای منطقی; Computational medicinal chemistry; Molecular modelling; Rational drug design;