Keywords: طراحی دارو مبتنی بر ساختار; Atopic dermatitis; Serine protease; Kallikrein 7 inhibitor; 1,4-Diazepan-7-one; Structure-based drug design;
مقالات ISI طراحی دارو مبتنی بر ساختار (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 دارو مبتنی بر ساختار; Computational ligand docking; Conformational search space; Drug-target interactions; Inverse docking; Multiple grid arrangement; Structure-based drug design; Scoring function; Virtual screening;
Keywords: طراحی دارو مبتنی بر ساختار; Human thymidine phosphorylase; Privileged scaffolds; Structure-based drug design; Virtual screening;
Keywords: طراحی دارو مبتنی بر ساختار; HIV; human immunodeficiency virus; RT; reverse transcriptase; NNRTI; non-nucleoside reverse transcriptase inhibitor; NRTI; nucleoside reverse transcriptase inhibitor; WT; wild-type; K101P; Lysine101Proline; IC50; inhibition concentration at 50%; EC50; eff
Keywords: طراحی دارو مبتنی بر ساختار; Influenza; Hemagglutinin; Arbidol; Structure-based drug design; Bio-layer interferometry;
Keywords: طراحی دارو مبتنی بر ساختار; PDE2; Phosphodiesterase 2; Fragment-based screening; Structure-based drug design;
Keywords: طراحی دارو مبتنی بر ساختار; Glucokinase activator; Structure-based drug design; OGTT; Type 2 diabetes; 1,4-Disubstituted indazole;
Keywords: طراحی دارو مبتنی بر ساختار; Transthyretin; TTR; Amyloid; Familial amyloid polyneuropathy; Senile systemic amyloidosis; Thyroid hormone receptors; Structural biology; Structure-based drug design; In silico docking; Inhibitor; Prediction algorithms;
Keywords: طراحی دارو مبتنی بر ساختار; Cyps; cyclophilins; CypA; cyclophilin A; PPIases; peptidyl-prolyl isomerases; CsA; cyclosporin A; HIV-1; human immunodeficiency virus 1; HCV; hepatitis C virus; SBDD; structure-based drug design; FBDD; fragment-based drug discovery; MD; molecular dynami
Keywords: طراحی دارو مبتنی بر ساختار; Folate pathway; Trypanosomatids; Structure-based drug design; Selective inhibition; Enzyme inhibitor; Anti-parasitic drug; PTR1; Pteridine reductase 1; DHFR; Dihydrofolate reductase; dUMP; Deoxyuridine monophosphate; dTMP; Deoxythymidine monophosphate; hD
Keywords: طراحی دارو مبتنی بر ساختار; BBB; blood-brain barrier; CNS; central nervous system; HAT; human African trypanosomiasis; NTDs; neglected tropical diseases; PDB; Protein Data Bank; PPPs; public-private partnerships; R&D; research and development; RNAi; RNA interference; SBDD; structure
Keywords: طراحی دارو مبتنی بر ساختار; Screening; Protein; Medicinal chemistry; Structure-based drug design;
Keywords: طراحی دارو مبتنی بر ساختار; drug resistance; protease inhibitors; HIV-1 protease; substrate envelope; structure-based drug design; resistance mutations
Keywords: طراحی دارو مبتنی بر ساختار; PAN; polymerase acidic protein N-terminal domain; MD; molecular dynamics; MM/GBSA; molecular mechanics/generalized Born surface area; H5N1; hemagglutinin type 5 and neuraminidase type; M2 protein; matrix protein 2; HIV; human immunodeficiency virus; SBDD;
Keywords: طراحی دارو مبتنی بر ساختار; Fragment-based approach; Crystal structure; Ligand binding; Hypertension; Inflammation; Structure-based drug design; High-throughput protein crystallography
Keywords: طراحی دارو مبتنی بر ساختار; Anti-cancer drugs; Polo-like kinase; Structure-based drug design; Homology modelling; Molecular docking; Molecular dynamics simulation
Keywords: طراحی دارو مبتنی بر ساختار; Anomeric spirocycle; Thiazolidinone; Type 2 diabetes; Glycogen phosphorylase; Inhibitor; X-ray protein crystallography; Structure-based drug design
Keywords: طراحی دارو مبتنی بر ساختار; Structure-based drug design; In silico screening; Chitinase; Inhibitor; Asthma medications;
Keywords: طراحی دارو مبتنی بر ساختار; AVP; adenovirus proteinase; AVP-pVIc; covalent complex between AVP and pVIc; pVI; the precursor to protein VI; pVIc; 11-amino acid peptide from the C-terminus of adenovirus precursor protein pVI; NT-pocket; pocket on surface of AVP where N-terminal resi
Structure-based design and synthesis of macrocyclic human rhinovirus 3C protease inhibitors
Keywords: طراحی دارو مبتنی بر ساختار; Rhinovirus 3C protease; Protease inhibition; Covalent inhibitor; Macrocycle; Structure-based drug design; Solid phase synthesis;
Design, synthesis, and biological evaluation of novel ubiquitin-activating enzyme inhibitors
Keywords: طراحی دارو مبتنی بر ساختار; Small molecules; Ubiquitination; Ubiquitin-proteasome system; Structure-based drug design; Cancer cell growth inhibition;
Discovery of 2-arylquinazoline derivatives as a new class of ASK1 inhibitors
Keywords: طراحی دارو مبتنی بر ساختار; Apoptosis signal-regulating kinase (ASK1); High throughput screening; Structure-based drug design; Kinase; Inhibitor;
Design, synthesis and biological evaluation of novel 3-substituted pyrazolopyrimidine derivatives as potent Bruton's tyrosine kinase (BTK) inhibitors
Keywords: طراحی دارو مبتنی بر ساختار; BTK inhibitors; 3-Substituted pyrazolopyrimidine; Structure-based drug design; Inhibitory activity; ClogP;
Surrogating and redirection of pyrazolo[1,5-a]pyrimidin-7(4H)-one core, a novel class of potent and selective DPP-4 inhibitors
Keywords: طراحی دارو مبتنی بر ساختار; DPP-4 inhibitor; Pyrazolo[1,5-a]pyrimidin-7(4H)-one derivatives; Structure-based drug design; Molecular docking; Anti-diabetic;
Discovery of orally efficacious RORγt inverse agonists. Part 2: Design, synthesis, and biological evaluation of novel tetrahydroisoquinoline derivatives
Keywords: طراحی دارو مبتنی بر ساختار; RORγt; retinoic acid receptor-related orphan receptor-gamma t; EAE; experimental autoimmune encephalomyelitis; BODIPY; boron-dipyrromethene; TR-FRET; time-resolved fluorescence resonance energy transfer; SAR; structure-activity relationship; IFN-γ; inte
Design, synthesis and biological evaluation of tetrahydronaphthyridine derivatives as bioavailable CDK4/6 inhibitors for cancer therapy
Keywords: طراحی دارو مبتنی بر ساختار; Structure-based drug design; Selective CDK4/6 inhibitors; Structure-activity relationship study; In vivo antitumor activity;
Structure-based drug design to overcome species differences in kallikrein 7 inhibition of 1,3,6-trisubstituted 1,4-diazepan-7-ones
Keywords: طراحی دارو مبتنی بر ساختار; 1,4-Diazepan-7-one; Serine protease; KLK7 inhibitor; Species differences; Structure-based drug design;
Structure-based discovery of selective BRPF1 bromodomain inhibitors
Keywords: طراحی دارو مبتنی بر ساختار; BRPF1 bromodomain; Pharmacophore search; Structure-based drug design; X-ray crystallography; Isothermal titration calorimetry; Molecular dynamics;
Discovery of new benzensulfonamide derivatives as tripedal STAT3 inhibitors
Keywords: طراحی دارو مبتنی بر ساختار; Antitumor activity; Sulfonamide; Selectivity; Structure-based drug design; STAT3 phosphorylation; Apoptosis; DMSO; dimethyl sulfoxide; Erk; extracellular regulated kinase; rt; room temperature; MTT; 3-4, 5-dehyl-al-2-y]-2, 5-dphnetrazolium bromide; SH2;
Diarylcyclopropane hydroxamic acid inhibitors of histone deacetylase 4 designed by combinatorial approach and QM/MM calculations
Keywords: طراحی دارو مبتنی بر ساختار; Huntington's disease; Histone deacetylases; Inhibitors of HDAC4; Computer-assisted drug design; QM/MM approach; B3LYP; hybrid gradient-corrected exchange-correlation functional of electron density; CADD; computer-assisted drug design; DCHA; trans-(2R,3R)-
Discovery of potent and selective BRD4 inhibitors capable of blocking TLR3-induced acute airway inflammation
Keywords: طراحی دارو مبتنی بر ساختار; Bromodomains; Bromodomain-containing protein 4 (BRD4); Structure-based drug design; Immune response genes; Airway inflammation;
Matrix metalloproteinase 9 (MMP9) in wound healing of diabetic foot ulcer: Molecular target and structure-based drug design
Keywords: طراحی دارو مبتنی بر ساختار; Matrix metalloproteinase 9; Diabetic foot ulcer; Wound healing; MMP9 inhibitors; Structure-based drug design; MMP9 crystal structures;
IAPP in type II diabetes: Basic research on structure, molecular interactions, and disease mechanisms suggests potential intervention strategies
Keywords: طراحی دارو مبتنی بر ساختار; 2DIR; two-dimensional infra-red spectroscopy; AFM; atomic force microscopy; AGE; advanced glycation end; CD; circular dichroism; CGRP; calcitonin gene-related peptides; DMSO; Dimethyl Sulfoxide; EGCG; epigallocatechin gallate; EPR; electron paramagnetic r
Structure-based drug design of novel peptidomimetic cellulose derivatives as HCV-NS3 protease inhibitors
Keywords: طراحی دارو مبتنی بر ساختار; Cellulose; Docking; HCV; Hexa-peptide; NS3 protease; NS3 inhibitors; Structure-based drug design;
Discovery and structure-guided fragment-linking of 4-(2,3-dichlorobenzoyl)-1-methyl-pyrrole-2-carboxamide as a pyruvate kinase M2 activator
Keywords: طراحی دارو مبتنی بر ساختار; Pyruvate kinase M2; Structure-based drug design; Protein crystallography; Fragment linking;
Structure-based identification of inhibitors targeting obstruction of the HIVgp41 N-heptad repeat trimer
Keywords: طراحی دارو مبتنی بر ساختار; HIV; gp41; Docking; DOCK; Virtual screening; Footprint similarity; Hungarian similarity; Viral entry; Structure-based drug design; Computer-aided drug design;
Structure-based design and SAR development of 5,6-dihydroimidazolo[1,5-f]pteridine derivatives as novel Polo-like kinase-1 inhibitors
Keywords: طراحی دارو مبتنی بر ساختار; PLK1 inhibitor; Structure-based drug design; Antitumor activity; Multidrug resistance;
FLIP: An assisting software in structure based drug design using fingerprint of protein-ligand interaction profiles
Keywords: طراحی دارو مبتنی بر ساختار; Drug discovery; Structure-based drug design; Interaction fingerprints; Molecular interactions; Scoring function;
Linker-switch approach towards new ATP binding site inhibitors of DNA gyrase B
Keywords: طراحی دارو مبتنی بر ساختار; Antibiotics; Antibacterials; Inhibitor; DNA gyrase B; ATP binding site; Pyrrole-2-carboxamides; Structure-based drug design; Ligand-based drug design;
Computational design and synthesis of novel fluoro-analogs of combretastatins A-4 and A-1
Keywords: طراحی دارو مبتنی بر ساختار; Combretastatin A-4 and A-1; Anticancer agent; Vascular disrupting agent; Fluoro-analog; Structure-based drug design; In silico screening; Structure-activity relationship;
Design, synthesis and SAR analysis of potent BACE1 inhibitors: Possible lead drug candidates for Alzheimer's disease
Keywords: طراحی دارو مبتنی بر ساختار; β-secretase inhibitors; Alzheimer's disease; Transition state mimics; Structure-based drug design; Structure activity relationship; Isophthalic acid derivatives; Molecular modeling;
Binding affinity of pro-apoptotic BH3 peptides for the anti-apoptotic Mcl-1 and A1 proteins: Molecular dynamics simulations of Mcl-1 and A1 in complex with six different BH3 peptides
Keywords: طراحی دارو مبتنی بر ساختار; BH3-mimetics; Programmed cell death; Apoptosis; Anti-cancer drugs; Protein-Protein interactions; Hydrophobic groove; Polar interactions; Structure-based drug design; Bcl-2 family; Molecular dynamics; Flexible binding pocket;
Discovery of potent, reversible MetAP2 inhibitors via fragment based drug discovery and structure based drug design-Part 2
Keywords: طراحی دارو مبتنی بر ساختار; Methionine aminopeptidase-2; MetAP2; Metalloprotease; Fragment-based drug discovery; FBDD; Structure-based drug design; SBDD; Pyrazolo[4,3-b]indoles;
Exploration of insights, opportunities and caveats provided by the X-ray structures of hSERT
Keywords: طراحی دارو مبتنی بر ساختار; SERT; serotonin transporter; DAT; dopamine transporter; NAT; noradrenaline transporter; NSS; neurotransmitter sodium transporters; SSRI; selective serotonin reuptake inhibitor; TCA; tricyclic antidepressant; drosoph.; Drosophila melanogaster; LeuT; leucin
TLX: An elusive receptor
Keywords: طراحی دارو مبتنی بر ساختار; Nuclear receptor; Small molecule; Druggability; Structure-based drug design; Coregulator; Protein-protein interaction surface
Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core
Keywords: طراحی دارو مبتنی بر ساختار; LXR; Structure-based drug design; Alzheimer's disease; Brain;
Optimization of allosteric MEK inhibitors. Part 2: Taming the sulfamide group balances compound distribution properties
Keywords: طراحی دارو مبتنی بر ساختار; Allosteric MEK inhibitor; Oncology; Structure-based drug design; Human carbonic anhydrase; Blood–plasma ratio
First comprehensive structural and biophysical analysis of MAPK13 inhibitors targeting DFG-in and DFG-out binding modes
Keywords: طراحی دارو مبتنی بر ساختار; p38 kinase; Structure-based drug design; Chronic inflammatory lung disease; Kinase inhibitor; Inhibitor half-lives; Differential scanning fluorimetry;
Synthesis and evaluation of 4-(2-hydroxypropyl)piperazin-1-yl) derivatives as Hsp90 inhibitors
Keywords: طراحی دارو مبتنی بر ساختار; Hsp90 inhibitors; Structure-activity relationships; Structure-based drug design;
7TM X-ray structures for class C GPCRs as new drug-discovery tools. 1. mGluR5
Keywords: طراحی دارو مبتنی بر ساختار; Structure-based drug design; Computer-aided drug discovery; Metabotropic glutamate receptors (mGluRs); Mavoglurant; Docking; X-ray structure; Negative allosteric modulators (NAMs); Positive allosteric modulators (PAMs);