Keywords: HIV-1 پروتئاز; Amino acid database; Ensemble classifier; Genetic algorithm; HIV-1 protease; Protein encoding; Support vector machine;
مقالات ISI HIV-1 پروتئاز (ترجمه نشده)
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Keywords: HIV-1 پروتئاز; drug resistance; protease inhibitors; HIV-1 protease; substrate envelope; structure-based drug design; resistance mutations
Keywords: HIV-1 پروتئاز; Basis set superposition error (BSSE); Density functional theory; Dispersion energy correction; Geometrical correction for BSSE; Hartree-Fock theory; HIV-1 protease; Protein-ligand interaction energy;
Design of novel HIV-1 protease inhibitors incorporating isophthalamide-derived P2-P3 ligands: Synthesis, biological evaluation and X-ray structural studies of inhibitor-HIV-1 protease complex
Keywords: HIV-1 پروتئاز; HIV-1 protease; Drug-resistance; X-ray structure; Synthesis; Isophthalamide;
Evolution of inhibitor-resistant natural mutant forms of HIV-1 protease probed by pre-steady state kinetic analysis
Keywords: HIV-1 پروتئاز; HIV-1 protease; Multidrug-resistant mutant; Active site evolution; Mechanism of protease action; Stopped-flow analysis; Pre-steady state kinetics; Enzyme-substrate interaction; FRET; FRET; Förster resonance energy transfer; PR; HIV-1 protease; WT; wild t
Design and synthesis of potent HIV-1 protease inhibitors with (S)-tetrahydrofuran-tertiary amine-acetamide as P2âligand: Structureâactivity studies and biological evaluation
Keywords: HIV-1 پروتئاز; HIV-1 protease; Inhibitors; P2 ligand; Enzyme; Design;
Drug Resistance Mechanism of L10F, L10F/N88S and L90M mutations in CRF01_AE HIV-1 protease: Molecular dynamics simulations and binding free energy calculations
Keywords: HIV-1 پروتئاز; HIV-1 protease; Nelfinavir; Subtype AE; Non-active site mutations; Resistance mechanism;
2D-QSAR study of fullerene nanostructure derivatives as potent HIV-1 protease inhibitors
Keywords: HIV-1 پروتئاز; Fullerene nanostructure; HIV-1 protease; QSAR; PCA; GAPLS; MLR; Regression;
ARTSY-J: Convenient and precise measurement of 3JHNHα couplings in medium-size proteins from TROSY-HSQC spectra
Keywords: HIV-1 پروتئاز; Backbone torsion angle; Gly; Karplus equation; TROSY; GB3; HIV-1 Protease; Protein NMR;
Effect of allosteric molecules on structure and drug affinity of HIV-1 protease by molecular dynamics simulations
Keywords: HIV-1 پروتئاز; HIV-1 protease; Inhibitor; Allosteric inhibitor; Molecular dynamics simulation; Binding free energy;
Enantioselective synthesis of dioxatriquinane structural motifs for HIV-1 protease inhibitors using a cascade radical cyclization
Keywords: HIV-1 پروتئاز; HIV-1 protease; Inhibitor; Cascade; Radical; Dioxatriquinane;
An efficient procedure for the expression and purification of HIV-1 protease from inclusion bodies
Keywords: HIV-1 پروتئاز; HIV-1 protease; Purification; pET32a(+); Inclusion bodies
Structure-based design, synthesis, X-ray studies, and biological evaluation of novel HIV-1 protease inhibitors containing isophthalamide-derived P2-ligands
Keywords: HIV-1 پروتئاز; HIV-1 protease; Inhibitors; Design; Synthesis; Antiviral; Isophthalamide;
Recovery of the wild type atomic flexibility in the HIV-1 protease double mutants
Keywords: HIV-1 پروتئاز; Molecular modeling; Normal modes analysis; HIV-1 protease; Double mutants; Protein flexibilityPIs, protease inhibitors; WT, wild type; h-bond, hydrogen bond; HIV-1, Human Immunodeficiency virus type-1; RMSF, root mean square fluctuations
Multistage virtual screening and identification of novel HIV-1 protease inhibitors by integrating SVM, shape, pharmacophore and docking methods
Keywords: HIV-1 پروتئاز; HIV-1 protease; Multistage virtual screening; SVM; Shape; Pharmacophore; Docking;
Exploring the drug resistance of V32I and M46L mutant HIV-1 protease to inhibitor TMC114: Flap dynamics and binding mechanism
Keywords: HIV-1 پروتئاز; HIV-1 protease; TMC114; Drug resistance; Double TMC114 bound complex; MM-PBSA; Molecular dynamics simulation
Synthetic, structural mimetics of the β-hairpin flap of HIV-1 protease inhibit enzyme function
Keywords: HIV-1 پروتئاز; HIV-1 protease; β-Hairpin; 1,4-Benzodiazepine; Protein–protein interaction; Proteomimetic; HIV/AIDS
Conformational variation of an extreme drug resistant mutant of HIV protease
Keywords: HIV-1 پروتئاز; HIV-1 protease; Drug resistance mutations; Flap dynamics; Resistance mechanisms; X-ray crystallography; Molecular dynamics simulations; Coordinated motions;
Real-time label-free measurement of HIV-1 protease activity by nanopore analysis
Keywords: HIV-1 پروتئاز; HIV-1 protease; Proteolysis; Peptide; Biosensors; Nanopore;
P1 and P1′ para-fluoro phenyl groups show enhanced binding and favorable predicted pharmacological properties: Structure-based virtual screening of extended lopinavir analogs against multi-drug resistant HIV-1 protease
Keywords: HIV-1 پروتئاز; HIV/AIDS; HIV-1 protease; Multidrug-resistance; Protease inhibitors; Lopinavir; Virtual screening
A multi-drug resistant HIV-1 protease is resistant to the dimerization inhibitory activity of TLF-PafF
Keywords: HIV-1 پروتئاز; HIV/AIDS; HIV-1 protease; Dimerization inhibitors; TLF-PafF; X-ray crystallography; Docking
Ligand modifications to reduce the relative resistance of multi-drug resistant HIV-1 protease
Keywords: HIV-1 پروتئاز; HIV-1 protease; Drug resistance; Drug design; Crystallography; Lopinavir;
Design, synthesis and evaluation of a potent substrate analog inhibitor identified by scanning Ala/Phe mutagenesis, mimicking substrate co-evolution, against multidrug-resistant HIV-1 protease
Keywords: HIV-1 پروتئاز; PI; protease inhibitors; FDA; food and drug administration; CA/p2; Capsid/short peptide; HSQC; heteronuclear single quantum coherence; FRET; fluorescence resonance energy transfer; HIV/AIDS; HIV-1 protease; Protease inhibitors; Multidrug-resistance; CA/p2
Conserved hydrogen bonds and water molecules in MDR HIV-1 protease substrate complexes
Keywords: HIV-1 پروتئاز; MDR; multi-drug resistant; HIV; human immunodeficiency virus; WT; wild type; HAART; highly active antiretroviral therapy; PR; protease; MA; matrix; CA; capsid; NC; nucleocapsid; RT; reverse transcriptase; IN; integrase; RH; rNase H; RMSD; root mean square
A novel and rapid assay for HIV-1 protease detection using magnetic bead mediation
Keywords: HIV-1 پروتئاز; HIV-1 protease; Magnetic bead-peptide; Biosensor; Impedance spectroscopy; Surface plasmon resonance;
How conformational changes can affect catalysis, inhibition and drug resistance of enzymes with induced-fit binding mechanism such as the HIV-1 protease
Keywords: HIV-1 پروتئاز; Enzyme dynamics; Induced fit; Conformational selection; HIV-1 protease; Non-active-site mutation; Multi-drug resistance;
Inhibition of HIV-1 enzymes, antioxidant and anti-inflammatory activities of Plectranthus barbatus
Keywords: HIV-1 پروتئاز; Plectranthus barbatus; HIV-1 protease; HIV-1 reverse transcriptase; Antioxidant; Cytokines;
Linear and cyclic glycopeptide as HIV protease inhibitors
Keywords: HIV-1 پروتئاز; HIV-1 protease; Linear and cyclic glycopeptides; Solid and solution peptide synthesis; Molecular docking; AIDS; acquired immunodeficiency syndrome; CTC; 2-chlorotrityl chloride; DCM; dichloromethane; DIPEA; N,N-diisopropyl ethylamine; DMF; N,N-dimethylfor
Docking and 3-D QSAR studies on the binding of tetrahydropyrimid-2-one HIV-1 protease inhibitors
Keywords: HIV-1 پروتئاز; THP; HIV-1 protease; Surflex; Glide; CoMFA; CoMSIA
Novel branched isocyanides as useful building blocks in the Passerini-amine deprotection-acyl migration (PADAM) synthesis of potential HIV-1 protease inhibitors
Keywords: HIV-1 پروتئاز; Multi-component coupling reaction; Passerini; Acyl migration; PADAM; HIV-1 protease;
Computer-assisted assessment of potentially useful non-peptide HIV-1 protease inhibitors
Keywords: HIV-1 پروتئاز; HIV-1 protease; Non-peptide inhibitors; MIA-QSAR; ADME; Docking;
Crystal structures of multidrug-resistant HIV-1 protease in complex with two potent anti-malarial compounds
Keywords: HIV-1 پروتئاز; HIV-1 protease; Plasmepsin-II; Aspartyl protease; Multidrug-resistance; Mechanism-based inhibitors; Crystallography; Docking
Synthesis and molecular modelling studies of novel carbapeptide analogs for inhibition of HIV-1 protease
Keywords: HIV-1 پروتئاز; HIV-1 protease; Sugar peptidomimetic; Solid phase peptide synthesis; Molecular dockingAIDS, acquired immunodeficiency syndrome; BnBr, benzyl bromide; CTC, 2-chlorotrityl chloride; DCM, dichloromethane; DIPEA, N-ethyl-N-isopropylpropan-2-amine; DMF, N,N-di
A new logic correlation rule for HIV-1 protease mutation
Keywords: HIV-1 پروتئاز; Logic correlation rule; Apriori-base; Boolean function simplification; Apriori_BFS; HIV-1 protease;
Improving the description of salt bridge strength and geometry in a Generalized Born model
Keywords: HIV-1 پروتئاز; Intrinsic radii; Salt bridge; PMF; Cluster analysis; HIV-1 protease; HIVPR
Resistant mechanism against nelfinavir of subtype C human immunodeficiency virus type 1 proteases
Keywords: HIV-1 پروتئاز; HIV-1 protease; Nelfinavir; Mutation; Molecular dynamics simulation; Resistant mechanism
A bioactive isoprenylated xanthone and other constituents of Garciniaedulis
Keywords: HIV-1 پروتئاز; Garcinia edulis; Garceduxanthone; HIV-1 protease; Cytotoxic activities
Lignan, sesquilignans and dilignans, novel HIV-1 protease and cytopathic effect inhibitors purified from the rhizomes of Saururus chinensis
Keywords: HIV-1 پروتئاز; Saururus chinensis; Saururin B; Lignan; Sesquilignan; Saucerneol B; Saucerneol C; Dilignan; Manassantins A and B; HIV-1 protease; HIV-1-induced cytopathic effect
Active site binding modes of dimeric phloroglucinols for HIV-1 reverse transcriptase, protease and integrase
Keywords: HIV-1 پروتئاز; HIV-1 reverse transcriptase; HIV-1 integrase; HIV-1 protease; Dimeric phloroglucinols; Docking;
Molecular cloning, over expression, and activity studies of a peptidic HIV-1 protease inhibitor: Designed synthetic gene to functional recombinant peptide
Keywords: HIV-1 پروتئاز; Gateway cloning; Synthetic gene; Inhibitor; Proteases; HIV-1 protease;
Insights into the mechanism of drug resistance: X-ray structure analysis of G48V/C95F tethered HIV-1 protease dimer/saquinavir complex
Keywords: HIV-1 پروتئاز; X-ray crystallography; HIV-1 protease; Saquinavir; Drug resistance
Structure-based design of carbon nanotubes as HIV-1 protease inhibitors: Atomistic and coarse-grained simulations
Keywords: HIV-1 پروتئاز; HIV-1 protease; Carbon nanotubes; Molecular dynamics; Atomistic model; Coarse-grained model
Structural and electronic properties of new fullerene derivatives and their possible application as HIV-1 protease inhibitors
Keywords: HIV-1 پروتئاز; Fullerene; Chalcogene; HIV-1 protease; Fulleropyrrolidine; DFT, QSAR;
Some insights into mechanism for binding and drug resistance of wild type and I50V V82A and I84V mutations in HIV-1 protease with GRL-98065 inhibitor from molecular dynamic simulations
Keywords: HIV-1 پروتئاز; Molecular dynamics simulation; MM-PBSA; HIV-1 protease; Drug resistance;
Urea-dependent unfolding of HIV-1 protease studied by circular dichroism and small-angle X-ray scattering
Keywords: HIV-1 پروتئاز; CD; HIV-1 protease; Unfolding; SAXS; Two-state transition
Molecular insight into the interaction mechanisms of inhibitors BEC and BEG with HIV-1 protease by using MM-PBSA method and molecular dynamics simulation
Keywords: HIV-1 پروتئاز; Molecular dynamics; MM-PBSA; HIV-1 protease; BEC; BEG;
Resistance mechanism revealed by crystal structures of unliganded nelfinavir-resistant HIV-1 protease non-active site mutants N88D and N88S
Keywords: HIV-1 پروتئاز; HIV-1 protease; Drug resistance; Mutation; X-ray crystallography
Molecular dynamics simulation and free energy calculations of symmetric fluoro-substituted diol-based HIV-1 protease inhibitors
Keywords: HIV-1 پروتئاز; Molecular dynamics simulation; Binding free energy; HIV-1 protease; MM-PB/SA method; Fluoro-substitution;
Synthesis of dammarane-type triterpene derivatives and their ability to inhibit HIV and HCV proteases
Keywords: HIV-1 پروتئاز; Dammarane; Triterpene; 2,3-seco-Derivative; Succinyl derivative; HIV-1 protease; HCV protease
Fluctuating partially native-like topologies in the acid denatured ensemble of autolysis resistant HIV-1 protease
Keywords: HIV-1 پروتئاز; HIV-1 protease; Acid denatured state; Nuclear magnetic resonance; Secondary chemical shifts; Backbone relaxation; Hydrophobic clustering