Published in J Med Chem on May 06, 2004
Structure and function of HIV-1 reverse transcriptase: molecular mechanisms of polymerization and inhibition. J Mol Biol (2008) 2.88
High-resolution structures of HIV-1 reverse transcriptase/TMC278 complexes: strategic flexibility explains potency against resistance mutations. Proc Natl Acad Sci U S A (2008) 2.82
TMC125 displays a high genetic barrier to the development of resistance: evidence from in vitro selection experiments. J Virol (2005) 2.70
TMC125, a novel next-generation nonnucleoside reverse transcriptase inhibitor active against nonnucleoside reverse transcriptase inhibitor-resistant human immunodeficiency virus type 1. Antimicrob Agents Chemother (2004) 2.51
Nitrile-containing pharmaceuticals: efficacious roles of the nitrile pharmacophore. J Med Chem (2010) 2.12
HIV-1 reverse transcriptase structure with RNase H inhibitor dihydroxy benzoyl naphthyl hydrazone bound at a novel site. ACS Chem Biol (2006) 1.83
Structural, functional, and genetic analysis of sorangicin inhibition of bacterial RNA polymerase. EMBO J (2005) 1.71
Two-dimensional infrared spectra reveal relaxation of the nonnucleoside inhibitor TMC278 complexed with HIV-1 reverse transcriptase. Proc Natl Acad Sci U S A (2007) 1.61
Applications of 2D IR spectroscopy to peptides, proteins, and hydrogen-bond dynamics. J Phys Chem B (2009) 1.54
Crystal engineering of HIV-1 reverse transcriptase for structure-based drug design. Nucleic Acids Res (2008) 1.54
HIV-1 reverse transcriptase complex with DNA and nevirapine reveals non-nucleoside inhibition mechanism. Nat Struct Mol Biol (2012) 1.52
Novel Cyclopropyl-Indole Derivatives as HIV Non-Nucleoside Reverse Transcriptase Inhibitors. ACS Med Chem Lett (2012) 1.52
Optimization of azoles as anti-human immunodeficiency virus agents guided by free-energy calculations. J Am Chem Soc (2008) 1.39
Structures of RNA polymerase-antibiotic complexes. Curr Opin Struct Biol (2009) 1.28
Structural Aspects of Drug Resistance and Inhibition of HIV-1 Reverse Transcriptase. Viruses (2010) 1.24
Elucidating the inhibition mechanism of HIV-1 non-nucleoside reverse transcriptase inhibitors through multicopy molecular dynamics simulations. J Mol Biol (2009) 1.21
Pharmacologic opportunities for HIV prevention. Clin Pharmacol Ther (2010) 1.19
Search for non-nucleoside inhibitors of HIV-1 reverse transcriptase using chemical similarity, molecular docking, and MM-GB/SA scoring. J Chem Inf Model (2007) 1.18
From docking false-positive to active anti-HIV agent. J Med Chem (2007) 1.16
Polarization Effects for Hydrogen-Bonded Complexes of Substituted Phenols with Water and Chloride Ion. J Chem Theory Comput (2007) 1.14
What role do surfaces play in GB models? A new-generation of surface-generalized born model based on a novel gaussian surface for biomolecules. J Comput Chem (2006) 1.12
Efficient discovery of potent anti-HIV agents targeting the Tyr181Cys variant of HIV reverse transcriptase. J Am Chem Soc (2011) 1.10
Constrained patterns of covariation and clustering of HIV-1 non-nucleoside reverse transcriptase inhibitor resistance mutations. J Antimicrob Chemother (2010) 1.09
Compartmental transport model of microbicide delivery by an intravaginal ring. J Pharm Sci (2010) 1.09
Characterization of the E138K resistance mutation in HIV-1 reverse transcriptase conferring susceptibility to etravirine in B and non-B HIV-1 subtypes. Antimicrob Agents Chemother (2010) 1.08
A novel molecular mechanism of dual resistance to nucleoside and nonnucleoside reverse transcriptase inhibitors. J Virol (2010) 1.08
Concentrations of dapivirine in the rhesus macaque and rabbit following once daily intravaginal administration of a gel formulation of [14C]dapivirine for 7 days. Antimicrob Agents Chemother (2007) 1.07
Diarylaniline derivatives as a distinct class of HIV-1 non-nucleoside reverse transcriptase inhibitors. J Med Chem (2010) 1.06
HIV-1 reverse transcriptase and antiviral drug resistance. Part 1. Curr Opin Virol (2013) 1.06
Non-nucleoside reverse transcriptase inhibitors: a review on pharmacokinetics, pharmacodynamics, safety and tolerability. J Int AIDS Soc (2013) 1.05
Timing of the components of the HIV life cycle in productively infected CD4+ T cells in a population of HIV-infected individuals. J Virol (2011) 1.05
Current perspectives on HIV-1 antiretroviral drug resistance. Viruses (2014) 1.04
Formulation, pharmacokinetics and pharmacodynamics of topical microbicides. Best Pract Res Clin Obstet Gynaecol (2012) 1.01
Crystal structures of HIV-1 reverse transcriptase with picomolar inhibitors reveal key interactions for drug design. J Am Chem Soc (2012) 1.01
Optimal drug cocktail design: methods for targeting molecular ensembles and insights from theoretical model systems. J Chem Inf Model (2008) 1.01
Antiviral drug resistance and the need for development of new HIV-1 reverse transcriptase inhibitors. Antimicrob Agents Chemother (2012) 1.00
Quantitative structure-activity relationship analysis of pyridinone HIV-1 reverse transcriptase inhibitors using the k nearest neighbor method and QSAR-based database mining. J Comput Aided Mol Des (2005) 0.99
Biochemical mechanism of HIV-1 resistance to rilpivirine. J Biol Chem (2012) 0.99
Connection domain mutations in HIV-1 reverse transcriptase do not impact etravirine susceptibility and virologic responses to etravirine-containing regimens. Antimicrob Agents Chemother (2011) 0.98
Optimization of diarylazines as anti-HIV agents with dramatically enhanced solubility. Bioorg Med Chem Lett (2013) 0.96
Human immunodeficiency virus type 1 recombinant reverse transcriptase enzymes containing the G190A and Y181C resistance mutations remain sensitive to etravirine. Antimicrob Agents Chemother (2009) 0.94
Discovery of dimeric inhibitors by extension into the entrance channel of HIV-1 reverse transcriptase. Bioorg Med Chem Lett (2012) 0.94
Effect of mutations at position E138 in HIV-1 reverse transcriptase and their interactions with the M184I mutation on defining patterns of resistance to nonnucleoside reverse transcriptase inhibitors rilpivirine and etravirine. Antimicrob Agents Chemother (2013) 0.94
Mutagenesis of human immunodeficiency virus reverse transcriptase p51 subunit defines residues contributing to vinylogous urea inhibition of ribonuclease H activity. J Biol Chem (2011) 0.94
Impact of drug resistance-associated amino acid changes in HIV-1 subtype C on susceptibility to newer nonnucleoside reverse transcriptase inhibitors. Antimicrob Agents Chemother (2014) 0.93
Structure-based evaluation of non-nucleoside inhibitors with improved potency and solubility that target HIV reverse transcriptase variants. J Med Chem (2015) 0.93
Understanding the effect of magnesium ion concentration on the catalytic activity of ribonuclease H through computation: does a third metal binding site modulate endonuclease catalysis? J Am Chem Soc (2010) 0.92
Factors associated with virological response to etravirine in nonnucleoside reverse transcriptase inhibitor-experienced HIV-1-infected patients. Antimicrob Agents Chemother (2009) 0.91
Synthesis, biological activity, and crystal structure of potent nonnucleoside inhibitors of HIV-1 reverse transcriptase that retain activity against mutant forms of the enzyme. J Med Chem (2007) 0.89
Application of normal-mode refinement to X-ray crystal structures at the lower resolution limit. Acta Crystallogr D Biol Crystallogr (2009) 0.89
Inhibitor design by wrapping packing defects in HIV-1 proteins. Proc Natl Acad Sci U S A (2004) 0.89
Comparison of the Mechanisms of Drug Resistance among HIV, Hepatitis B, and Hepatitis C. Viruses (2010) 0.87
Combination of V106I and V179D polymorphic mutations in human immunodeficiency virus type 1 reverse transcriptase confers resistance to efavirenz and nevirapine but not etravirine. Antimicrob Agents Chemother (2010) 0.87
Structure-based evaluation of C5 derivatives in the catechol diether series targeting HIV-1 reverse transcriptase. Chem Biol Drug Des (2014) 0.86
Antiviral activity and in vitro mutation development pathways of MK-6186, a novel nonnucleoside reverse transcriptase inhibitor. Antimicrob Agents Chemother (2012) 0.86
Extension into the entrance channel of HIV-1 reverse transcriptase--crystallography and enhanced solubility. Bioorg Med Chem Lett (2013) 0.86
Enhanced Monte Carlo Sampling through Replica Exchange with Solute Tempering. J Chem Theory Comput (2014) 0.86
Optimization of benzyloxazoles as non-nucleoside inhibitors of HIV-1 reverse transcriptase to enhance Y181C potency. Bioorg Med Chem Lett (2012) 0.85
A comparison of the ability of rilpivirine (TMC278) and selected analogues to inhibit clinically relevant HIV-1 reverse transcriptase mutants. Retrovirology (2012) 0.85
Conformational States of HIV-1 Reverse Transcriptase for Nucleotide Incorporation vs Pyrophosphorolysis-Binding of Foscarnet. ACS Chem Biol (2016) 0.85
Role of Ligand Reorganization and Conformational Restraints on the Binding Free Energies of DAPY Non-Nucleoside Inhibitors to HIV Reverse Transcriptase. Comput Mol Biosci (2012) 0.84
Synthetic Routes to a Series of Proximal and Distal 2'-Deoxy Fleximers. Synthesis (Stuttg) (2012) 0.83
Etravirine: a second-generation NNRTI for treatment-experienced adults with resistant HIV-1 infection. Futur HIV Ther (2008) 0.82
Computer-aided discovery of anti-HIV agents. Bioorg Med Chem (2016) 0.82
Burkholderia oklahomensis agglutinin is a canonical two-domain OAA-family lectin: structures, carbohydrate binding and anti-HIV activity. FEBS J (2013) 0.82
HIV-1 RT Inhibitors with a Novel Mechanism of Action: NNRTIs that Compete with the Nucleotide Substrate. Viruses (2010) 0.82
The interplay of structure and dynamics: insights from a survey of HIV-1 reverse transcriptase crystal structures. Proteins (2013) 0.82
Panel of prototypical recombinant infectious molecular clones resistant to nevirapine, efavirenz, etravirine, and rilpivirine. Antimicrob Agents Chemother (2012) 0.81
Molecular dynamics and Monte Carlo simulations for protein-ligand binding and inhibitor design. Biochim Biophys Acta (2014) 0.81
Asymmetric conformational maturation of HIV-1 reverse transcriptase. Elife (2015) 0.81
Winning the arms race by improving drug discovery against mutating targets. ACS Chem Biol (2011) 0.81
2D and 3D QSAR studies of diarylpyrimidine HIV-1 reverse transcriptase inhibitors. J Comput Aided Mol Des (2008) 0.81
Profile of etravirine for the treatment of HIV infection. Ther Clin Risk Manag (2010) 0.81
A polymorphism at position 400 in the connection subdomain of HIV-1 reverse transcriptase affects sensitivity to NNRTIs and RNaseH activity. PLoS One (2013) 0.80
Bifunctional inhibition of human immunodeficiency virus type 1 reverse transcriptase: mechanism and proof-of-concept as a novel therapeutic design strategy. J Med Chem (2013) 0.80
Novel HIV-1 Non-nucleoside Reverse Transcriptase Inhibitor Agents: Optimization of Diarylanilines with High Potency against Wild-Type and Rilpivirine-Resistant E138K Mutant Virus. J Med Chem (2016) 0.79
Impact of Novel Resistance Profiles in HIV-1 Reverse Transcriptase on Phenotypic Resistance to NVP. AIDS Res Treat (2012) 0.79
Anti-human immunodeficiency virus type 1 activity of novel 6-substituted 1-benzyl-3-(3,5-dimethylbenzyl)uracil derivatives. Antimicrob Agents Chemother (2012) 0.79
Design, synthesis, and biological evaluation of 1-[(2-benzyloxyl/alkoxyl)methyl]-5-halo-6-aryluracils as potent HIV-1 non-nucleoside reverse transcriptase inhibitors with an improved drug resistance profile. J Med Chem (2012) 0.79
Crystallographic study of a novel subnanomolar inhibitor provides insight on the binding interactions of alkenyldiarylmethanes with human immunodeficiency virus-1 reverse transcriptase. J Med Chem (2009) 0.79
Role of the K101E substitution in HIV-1 reverse transcriptase in resistance to rilpivirine and other nonnucleoside reverse transcriptase inhibitors. Antimicrob Agents Chemother (2013) 0.78
Structure of HIV-1 reverse transcriptase bound to a novel 38-mer hairpin template-primer DNA aptamer. Protein Sci (2015) 0.78
Molecular dynamics study of HIV-1 RT-DNA-nevirapine complexes explains NNRTI inhibition and resistance by connection mutations. Proteins (2013) 0.77
Structure-guided design of small-molecule therapeutics against RSV disease. Expert Opin Drug Discov (2016) 0.77
DB-02, a C-6-cyclohexylmethyl substituted pyrimidinone HIV-1 reverse transcriptase inhibitor with nanomolar activity, displays an improved sensitivity against K103N or Y181C than S-DABOs. PLoS One (2013) 0.77
A transient kinetic approach to investigate nucleoside inhibitors of mitochondrial DNA polymerase gamma. Methods (2010) 0.77
Identification of HIV inhibitors guided by free energy perturbation calculations. Curr Pharm Des (2012) 0.77
Rilpivirine analogs potently inhibit drug-resistant HIV-1 mutants. Retrovirology (2016) 0.77
HIV PrEP Trials: The Road to Success. Clin Investig (Lond) (2013) 0.77
Improving Viral Protease Inhibitors to Counter Drug Resistance. Trends Microbiol (2016) 0.77
Molecular docking studies of marine diterpenes as inhibitors of wild-type and mutants HIV-1 reverse transcriptase. Mar Drugs (2013) 0.76
New option for management of HIV-1 infection in treatment-naive patients: once-daily, fixed-dose combination of rilpivirine-emtricitabine-tenofovir. HIV AIDS (Auckl) (2012) 0.76
The Need for Development of New HIV-1 Reverse Transcriptase and Integrase Inhibitors in the Aftermath of Antiviral Drug Resistance. Scientifica (Cairo) (2012) 0.76
A mechanistic and structural investigation of modified derivatives of the diaryltriazine class of NNRTIs targeting HIV-1 reverse transcriptase. Biochim Biophys Acta (2014) 0.76
Discovery of Phenylaminopyridine Derivatives as Novel HIV-1 Non-nucleoside Reverse Transcriptase Inhibitors. ACS Med Chem Lett (2012) 0.76
Effects of HIV-1 reverse transcriptase connection subdomain mutations on polypurine tract removal and initiation of (+)-strand DNA synthesis. Nucleic Acids Res (2015) 0.76
Structures of human cytosolic NADP-dependent isocitrate dehydrogenase reveal a novel self-regulatory mechanism of activity. J Biol Chem (2004) 6.55
The diarylquinoline TMC207 for multidrug-resistant tuberculosis. N Engl J Med (2009) 5.78
Multidrug-resistant tuberculosis and culture conversion with bedaquiline. N Engl J Med (2014) 4.95
The challenge of new drug discovery for tuberculosis. Nature (2011) 4.23
Outcomes after stereotactic lung radiotherapy or wedge resection for stage I non-small-cell lung cancer. J Clin Oncol (2010) 3.59
All TRAFs are not created equal: common and distinct molecular mechanisms of TRAF-mediated signal transduction. J Cell Sci (2002) 3.31
IL-17 produced by neutrophils regulates IFN-gamma-mediated neutrophil migration in mouse kidney ischemia-reperfusion injury. J Clin Invest (2009) 3.30
Flexible use of nuclear import pathways by HIV-1. Cell Host Microbe (2010) 3.08
Structure and function of HIV-1 reverse transcriptase: molecular mechanisms of polymerization and inhibition. J Mol Biol (2008) 2.88
Inhibition of bacterial RNA polymerase by streptolydigin: stabilization of a straight-bridge-helix active-center conformation. Cell (2005) 2.88
Diarylquinolines target subunit c of mycobacterial ATP synthase. Nat Chem Biol (2007) 2.83
High-resolution structures of HIV-1 reverse transcriptase/TMC278 complexes: strategic flexibility explains potency against resistance mutations. Proc Natl Acad Sci U S A (2008) 2.82
TMC114, a novel human immunodeficiency virus type 1 protease inhibitor active against protease inhibitor-resistant viruses, including a broad range of clinical isolates. Antimicrob Agents Chemother (2005) 2.76
TMC125 displays a high genetic barrier to the development of resistance: evidence from in vitro selection experiments. J Virol (2005) 2.70
Discovery and selection of TMC114, a next generation HIV-1 protease inhibitor. J Med Chem (2005) 2.58
TMC125, a novel next-generation nonnucleoside reverse transcriptase inhibitor active against nonnucleoside reverse transcriptase inhibitor-resistant human immunodeficiency virus type 1. Antimicrob Agents Chemother (2004) 2.51
Location of persisting mycobacteria in a Guinea pig model of tuberculosis revealed by r207910. Antimicrob Agents Chemother (2007) 2.50
Structures of HIV-1 reverse transcriptase with pre- and post-translocation AZTMP-terminated DNA. EMBO J (2002) 2.41
Selective sphingosine 1-phosphate 1 receptor activation reduces ischemia-reperfusion injury in mouse kidney. Am J Physiol Renal Physiol (2006) 2.39
Structures of influenza A proteins and insights into antiviral drug targets. Nat Struct Mol Biol (2010) 2.31
In search of a novel anti-HIV drug: multidisciplinary coordination in the discovery of 4-[[4-[[4-[(1E)-2-cyanoethenyl]-2,6-dimethylphenyl]amino]-2- pyrimidinyl]amino]benzonitrile (R278474, rilpivirine). J Med Chem (2005) 2.31
Renal ischemia-reperfusion injury and adenosine 2A receptor-mediated tissue protection: role of macrophages. Am J Physiol Renal Physiol (2004) 2.27
Structural basis of transcription initiation. Science (2012) 2.23
Renal ischemia-reperfusion injury and adenosine 2A receptor-mediated tissue protection: the role of CD4+ T cells and IFN-gamma. J Immunol (2006) 2.22
Renal protection from ischemia mediated by A2A adenosine receptors on bone marrow-derived cells. J Clin Invest (2003) 2.22
Graphical exploration of gene expression data: a comparative study of three multivariate methods. Biometrics (2003) 2.20
Regulatory T cells suppress innate immunity in kidney ischemia-reperfusion injury. J Am Soc Nephrol (2009) 2.18
Diarylquinolines are bactericidal for dormant mycobacteria as a result of disturbed ATP homeostasis. J Biol Chem (2008) 2.07
Structural basis for suppression of a host antiviral response by influenza A virus. Proc Natl Acad Sci U S A (2008) 2.02
Dendritic cells tolerized with adenosine A₂AR agonist attenuate acute kidney injury. J Clin Invest (2012) 2.00
H3K4me3 interactions with TAF3 regulate preinitiation complex assembly and selective gene activation. Cell (2013) 2.00
Sterilizing activity of novel TMC207- and PA-824-containing regimens in a murine model of tuberculosis. Antimicrob Agents Chemother (2011) 1.99
The RNA polymerase "switch region" is a target for inhibitors. Cell (2008) 1.96
Crystallography and the design of anti-AIDS drugs: conformational flexibility and positional adaptability are important in the design of non-nucleoside HIV-1 reverse transcriptase inhibitors. Prog Biophys Mol Biol (2005) 1.93
Structural and functional analyses of the second-generation integrase strand transfer inhibitor dolutegravir (S/GSK1349572). Mol Pharmacol (2011) 1.87
Mutations in the RNase H domain of HIV-1 reverse transcriptase affect the initiation of DNA synthesis and the specificity of RNase H cleavage in vivo. Proc Natl Acad Sci U S A (2002) 1.85
Sterilizing activities of novel combinations lacking first- and second-line drugs in a murine model of tuberculosis. Antimicrob Agents Chemother (2012) 1.83
HIV-1 reverse transcriptase structure with RNase H inhibitor dihydroxy benzoyl naphthyl hydrazone bound at a novel site. ACS Chem Biol (2006) 1.83
Combinations of R207910 with drugs used to treat multidrug-resistant tuberculosis have the potential to shorten treatment duration. Antimicrob Agents Chemother (2006) 1.81
The hepatitis B virus polymerase mutation rtV173L is selected during lamivudine therapy and enhances viral replication in vitro. J Virol (2003) 1.80
Structures of HIV-1 RT-DNA complexes before and after incorporation of the anti-AIDS drug tenofovir. Nat Struct Mol Biol (2004) 1.78
Essentiality of FASII pathway for Staphylococcus aureus. Nature (2010) 1.77
Ultrasound prevents renal ischemia-reperfusion injury by stimulating the splenic cholinergic anti-inflammatory pathway. J Am Soc Nephrol (2013) 1.76
Human T-cell leukemia virus type 1 integration target sites in the human genome: comparison with those of other retroviruses. J Virol (2007) 1.69
In vitro antimycobacterial spectrum of a diarylquinoline ATP synthase inhibitor. Antimicrob Agents Chemother (2007) 1.68
Lens epithelium-derived growth factor fusion proteins redirect HIV-1 DNA integration. Proc Natl Acad Sci U S A (2010) 1.68
Nature, position, and frequency of mutations made in a single cycle of HIV-1 replication. J Virol (2010) 1.65
Altering the RNase H primer grip of human immunodeficiency virus reverse transcriptase modifies cleavage specificity. Biochemistry (2002) 1.64
Two-dimensional infrared spectra reveal relaxation of the nonnucleoside inhibitor TMC278 complexed with HIV-1 reverse transcriptase. Proc Natl Acad Sci U S A (2007) 1.61
Vagus nerve stimulation mediates protection from kidney ischemia-reperfusion injury through α7nAChR+ splenocytes. J Clin Invest (2016) 1.56
Structural and molecular interactions of CCR5 inhibitors with CCR5. J Biol Chem (2006) 1.55
Crystal engineering of HIV-1 reverse transcriptase for structure-based drug design. Nucleic Acids Res (2008) 1.54
Subclinical hypertensive heart disease in black patients with elevated blood pressure in an inner-city emergency department. Ann Emerg Med (2012) 1.54
Selectivity of TMC207 towards mycobacterial ATP synthase compared with that towards the eukaryotic homologue. Antimicrob Agents Chemother (2008) 1.53
The M184V mutation reduces the selective excision of zidovudine 5'-monophosphate (AZTMP) by the reverse transcriptase of human immunodeficiency virus type 1. J Virol (2002) 1.53
Domain 2 of nonstructural protein 5A (NS5A) of hepatitis C virus is natively unfolded. Biochemistry (2007) 1.53
PCR amplification of DNA containing non-standard base pairs by variants of reverse transcriptase from Human Immunodeficiency Virus-1. Nucleic Acids Res (2004) 1.52
Adenosine A2A receptor activation attenuates inflammation and injury in diabetic nephropathy. Am J Physiol Renal Physiol (2005) 1.52
HIV-1 reverse transcriptase complex with DNA and nevirapine reveals non-nucleoside inhibition mechanism. Nat Struct Mol Biol (2012) 1.52
Structural basis of HIV-1 resistance to AZT by excision. Nat Struct Mol Biol (2010) 1.50
Structure of HIV-1 reverse transcriptase with the inhibitor beta-Thujaplicinol bound at the RNase H active site. Structure (2009) 1.50
Predicting comatose patients with acute stroke outcome using middle-latency somatosensory evoked potentials. Clin Neurophysiol (2011) 1.49
Encoding microcarriers: present and future technologies. Nat Rev Drug Discov (2002) 1.48
Crystal structures for HIV-1 reverse transcriptase in complexes with three pyridinone derivatives: a new class of non-nucleoside inhibitors effective against a broad range of drug-resistant strains. J Med Chem (2005) 1.48