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Approaches for Identification of HIV-1 Entry Inhibitors Targeting gp41 Pocket

https://doi.org/10.3390/v5010127
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Critical evaluation of search algorithms for automated molecular docking and database screening
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Design of a Protein Surface Antagonist Based on α-Helix Mimicry: Inhibition of gp41 Assembly and Viral Fusion We thank the National Institutes of Health for support of this work and the Deutsche Forschungsgemeinschaft (DFG) for a research fellowship to O.K.
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A Metallopeptide Assembly of the HIV‐1 gp41 Coiled Coil Is an Ideal Receptor in Fluorescence Detection of Ligand Binding
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Development of Peptide and Small‐Molecule HIV‐1 Fusion Inhibitors that Target gp41
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Inhibition of HIV-1 Infection by a Fusion Domain Binding Peptide from the HIV-1 Envelope Glycoprotein GP41
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Development and validation of a modular, extensible docking program: DOCK 5
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Sifuvirtide, a potent HIV fusion inhibitor peptide
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Structure-based design, synthesis and biological evaluation of new N-carboxyphenylpyrrole derivatives as HIV fusion inhibitors targeting gp41
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Design, synthesis, and evaluation of indole compounds as novel inhibitors targeting Gp41
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Design, synthesis, and biological activity of a novel series of 2,5-disubstituted furans/pyrroles as HIV-1 fusion inhibitors targeting gp41
inferredcites →https://doi.org/10.1016/j.bmcl.2012.02.017openalex-snapshot
Footprint-based identification of viral entry inhibitors targeting HIVgp41
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Discovery of HIV fusion inhibitors targeting gp41 using a comprehensive α-helix mimetic library
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Determination of the HIV-1 gp41 fusogenic core conformation modeled by synthetic peptides: applicable for identification of HIV-1 fusion inhibitors
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The anti-HIV activity of ADS-J1 targets the HIV-1 gp120
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Molecular recognition of receptor sites using a genetic algorithm with a description of desolvation
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Core Structure of gp41 from the HIV Envelope Glycoprotein
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HIV Entry and Its Inhibition
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A screening assay for antiviral compounds targeted to the HIV-1 gp41 core structure using a conformation-specific monoclonal antibody
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The structure of an HIV-1 specific cell entry inhibitor in complex with the HIV-1 gp41 trimeric core
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ZINC − A Free Database of Commercially Available Compounds for Virtual Screening
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Toward Proteomimetics: Terphenyl Derivatives as Structural and Functional Mimics of Extended Regions of an α-Helix
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Structural Characterization of a Paramagnetic Metal-Ion-Assembled Three-Stranded α-Helical Coiled Coil
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Glide: A New Approach for Rapid, Accurate Docking and Scoring. 1. Method and Assessment of Docking Accuracy
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Design, Synthesis, and Biological Activity of Novel 5-((Arylfuran/1H-pyrrol-2-yl)methylene)-2-thioxo-3-(3-(trifluoromethyl)phenyl)thiazolidin-4-ones as HIV-1 Fusion Inhibitors Targeting gp41
inferredcites →https://doi.org/10.1021/jm200791zopenalex-snapshot
Development of Indole Compounds as Small Molecule Fusion Inhibitors Targeting HIV-1 Glycoprotein-41
inferredcites →https://doi.org/10.1021/jm800869topenalex-snapshot
Design, Synthesis, and Biological Evaluation of N-Carboxyphenylpyrrole Derivatives as Potent HIV Fusion Inhibitors Targeting gp41
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Design, Synthesis, and Structure−Activity Relationship of a Novel Series of 2-Aryl 5-(4-Oxo-3-phenethyl-2-thioxothiazolidinylidenemethyl)furans as HIV-1 Entry Inhibitors
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Structure-Based Identification of Small Molecule Antiviral Compounds Targeted to the gp41 Core Structure of the Human Immunodeficiency Virus Type 1
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DOCK 4.0: Search strategies for automated molecular docking of flexible molecule databases
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Selection of gp41-mediated HIV-1 cell entry inhibitors from biased combinatorial libraries of non-natural binding elements.
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Potent suppression of HIV-1 replication in humans by T-20, a peptide inhibitor of gp41-mediated virus entry
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HIV-1 inhibition by a peptide
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Atomic structure of the ectodomain from HIV-1 gp41
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A trimeric structural domain of the HIV-1 transmembrane glycoprotein
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A Trial Comparing Nucleoside Monotherapy with Combination Therapy in HIV-Infected Adults with CD4 Cell Counts from 200 to 500 per Cubic Millimeter
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Enfuvirtide, an HIV-1 Fusion Inhibitor, for Drug-Resistant HIV Infection in North and South America
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Efficacy of Enfuvirtide in Patients Infected with Drug-Resistant HIV-1 in Europe and Australia
inferredcites →https://doi.org/10.1073/pnas.0601036103openalex-snapshot
Small molecules that bind the inner core of gp41 and inhibit HIV envelope-mediated fusion
inferredcites →https://doi.org/10.1073/pnas.0701478104openalex-snapshot
Design of helical, oligomeric HIV-1 fusion inhibitor peptides with potent activity against enfuvirtide-resistant virus
inferredcites →https://doi.org/10.1073/pnas.0807335105openalex-snapshot
Potent HIV fusion inhibitors against Enfuvirtide-resistant HIV-1 strains
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A synthetic peptide inhibitor of human immunodeficiency virus replication: correlation between solution structure and viral inhibition.
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Propensity for a leucine zipper-like domain of human immunodeficiency virus type 1 gp41 to form oligomers correlates with a role in virus-induced fusion rather than assembly of the glycoprotein complex.
inferredcites →https://doi.org/10.1073/pnas.94.12.6065openalex-snapshot
Assembly of a rod-shaped chimera of a trimeric GCN4 zipper and the HIV-1 gp41 ectodomain expressed in Escherichia coli
inferredcites →https://doi.org/10.1073/pnas.94.23.12303openalex-snapshot
Atomic structure of a thermostable subdomain of HIV-1 gp41
inferredcites →https://doi.org/10.1073/pnas.95.26.15613openalex-snapshot
Evidence that a prominent cavity in the coiled coil of HIV type 1 gp41 is an attractive drug target
inferredcites →https://doi.org/10.1074/jbc.m110.101170openalex-snapshot
Novel Recombinant Engineered gp41 N-terminal Heptad Repeat Trimers and Their Potential as Anti-HIV-1 Therapeutics or Microbicides
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A Novel Chimeric Protein-based HIV-1 Fusion Inhibitor Targeting gp41 Glycoprotein with High Potency and Stability
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Design of a Novel Peptide Inhibitor of HIV Fusion That Disrupts the Internal Trimeric Coiled-coil of gp41
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Covalent Trimers of the Internal N-terminal Trimeric Coiled-coil of gp41 and Antibodies Directed against Them Are Potent Inhibitors of HIV Envelope-mediated Cell Fusion
inferredcites →https://doi.org/10.1074/jbc.m411141200openalex-snapshot
Different from the HIV Fusion Inhibitor C34, the Anti-HIV Drug Fuzeon (T-20) Inhibits HIV-1 Entry by Targeting Multiple Sites in gp41 and gp120
inferredcites →https://doi.org/10.1074/jbc.m800200200openalex-snapshot
Design and Evaluation of Sifuvirtide, a Novel HIV-1 Fusion Inhibitor
inferredcites →https://doi.org/10.1080/07391102.1997.10508958openalex-snapshot
A Trimeric Structural Subdomain of the HIV-1 Transmembrane Glycoprotein
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Human Immunodeficiency Virus Type 1 Entry Inhibitors PRO 542 and T‐20 Are Potently Synergistic in Blocking Virus‐Cell and Cell‐Cell Fusion
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Enfuvirtide (T‐20) Cross‐Reactive Glycoprotein 41 Antibody Does Not Impair the Efficacy or Safety of Enfuvirtide
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T‐1249 Retains Potent Antiretroviral Activity in Patients Who Had Experienced Virological Failure while on an Enfuvirtide‐Containing Treatment Regimen
inferredcites →https://doi.org/10.1093/emboj/17.16.4572openalex-snapshot
Three‐dimensional solution structure of the 44 kDa ectodomain of SIV gp41
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Interactions between different generation HIV‐1 fusion inhibitors and the putative mechanism underlying the synergistic anti‐HIV‐1 effect resulting from their combination
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Characterization of determinants of genotypic and phenotypic resistance to enfuvirtide in baseline and on-treatment HIV-1 isolates
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Strong in Vitro Synergy Between the Fusion Inhibitor T-20 and the CXCR4 Blocker AMD-3100
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Rapid Emergence of Enfuvirtide Resistance in HIV-1-Infected Patients
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Synergistic efficacy of combination of enfuvirtide and sifuvirtide, the first- and next-generation HIV-fusion inhibitors
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Pharmacokinetics of sifuvirtide, a novel anti-HIV-1 peptide, in monkeys and its inhibitory concentration in vitro1
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Human Immunodeficiency Virus Glycoprotein gp120 as the Primary Target for the Antiviral Action of AR177 (Zintevir)
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Protein Design of an HIV-1 Entry Inhibitor
inferredcites →https://doi.org/10.1126/science.2986290openalex-snapshot
Major Glycoprotein Antigens That Induce Antibodies in AIDS Patients Are Encoded by HTLV-III
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A Novel Fluorescence Intensity Screening Assay Identifies New Low-Molecular-Weight Inhibitors of the gp41 Coiled-Coil Domain of Human Immunodeficiency Virus Type 1
inferredcites →https://doi.org/10.1128/aac.00670-09openalex-snapshot
ADS-J1 Inhibits Human Immunodeficiency Virus Type 1 Entry by Interacting with the gp41 Pocket Region and Blocking Fusion-Active gp41 Core Formation
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Anti-Human Immunodeficiency Virus Interactions of SCH-C (SCH 351125), a CCR5 Antagonist, with Other Antiretroviral Agents In Vitro
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N-Substituted Pyrrole Derivatives as Novel Human Immunodeficiency Virus Type 1 Entry Inhibitors That Interfere with the gp41 Six-Helix Bundle Formation and Block Virus Fusion
inferredcites →https://doi.org/10.1128/jvi.00168-09openalex-snapshot
Combinations of the First and Next Generations of Human Immunodeficiency Virus (HIV) Fusion Inhibitors Exhibit a Highly Potent Synergistic Effect against Enfuvirtide- Sensitive and -Resistant HIV Type 1 Strains
inferredcites →https://doi.org/10.1128/jvi.00319-08openalex-snapshot
Identification of a Critical Motif for the Human Immunodeficiency Virus Type 1 (HIV-1) gp41 Core Structure: Implications for Designing Novel Anti-HIV Fusion Inhibitors
inferredcites →https://doi.org/10.1128/jvi.00352-08openalex-snapshot
Selection of T1249-Resistant Human Immunodeficiency Virus Type 1 Variants
inferredcites →https://doi.org/10.1128/jvi.05066-11openalex-snapshot
Mutations of Gln64 in the HIV-1 gp41 N-Terminal Heptad Repeat Render Viruses Resistant to Peptide HIV Fusion Inhibitors Targeting the gp41 Pocket
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A Conformation-Specific Monoclonal Antibody Reacting with Fusion-Active gp41 from the Human Immunodeficiency Virus Type 1 Envelope Glycoprotein
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Determinants of Human Immunodeficiency Virus Type 1 Resistance to gp41-Derived Inhibitory Peptides
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Inhibition of Human Immunodeficiency Virus Type 1 Infectivity by the gp41 Core: Role of a Conserved Hydrophobic Cavity in Membrane Fusion
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The spread, treatment, and prevention of HIV-1: evolution of a global pandemic
inferredcites →https://doi.org/10.1177/1087057103259155openalex-snapshot
Rapid and Automated Fluorescence-Linked Immunosorbent Assay for High-Throughput Screening of Hiv-1 Fusion Inhibitors Targeting gp41
inferredcites →https://doi.org/10.1261/rna.1563609openalex-snapshot
DOCK 6: Combining techniques to model RNA–small molecule complexes
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A fluorescence assay for rapid detection of ligand binding affinity to HIV-1 gp41
inferredcites →https://doi.org/10.1592/phco.24.2.198.33141openalex-snapshot
Enfuvirtide, a New Fusion Inhibitor for Therapy of Human Immunodeficiency Virus Infection
inferredcites →https://doi.org/10.2174/1381612024607180openalex-snapshot
Peptide and Non-peptide HIV Fusion Inhibitors
inferredcites →https://doi.org/10.2174/1381612043384448openalex-snapshot
HIV-1 gp41 as a Target for Viral Entry Inhibition
inferredcites →https://doi.org/10.2174/1381612043384466openalex-snapshot
High Throughput Screening and Characterization of HIV-1 Entry Inhibitors Targeting gp41: Theories and Techniques
inferredcites →https://doi.org/10.2174/138161207779313722openalex-snapshot
HIV Entry Inhibitors Targeting gp41: From Polypeptides to Small-Molecule Compounds

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Antiviral Activities of Mastoparan-L-Derived Peptides against Human Alphaherpesvirus 1
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iAVPs-ResBi: Identifying antiviral peptides by using deep residual network and bidirectional gated recurrent unit
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Molecular Dynamics and Docking of Biphenyl: A Potential Attachment Inhibitor for HIV-1 gp120 Glycoprotein
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A Brief Review of the Medicinally Important Indole Derivatives
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