(Q33945786)

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Identification of alternative binding sites for inhibitors of HIV-1 ribonuclease H through comparative analysis of virtual enrichment studies

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scholarly article

1 reference

Europe PubMed Central

30 July 2017

Identification of alternative binding sites for inhibitors of HIV-1 ribonuclease H through comparative analysis of virtual enrichment studies (English)

1 reference

Europe PubMed Central

30 July 2017

6

object named as

Eddy Arnold

1 reference

Europe PubMed Central

30 July 2017

author name string

Anthony K Felts

1

1 reference

Europe PubMed Central

30 July 2017

Krystal Labarge

2

1 reference

Europe PubMed Central

30 July 2017

Joseph D Bauman

3

1 reference

Europe PubMed Central

30 July 2017

Dishaben V Patel

4

1 reference

Europe PubMed Central

30 July 2017

Daniel M Himmel

5

1 reference

Europe PubMed Central

30 July 2017

Michael A Parniak

7

1 reference

Europe PubMed Central

30 July 2017

Ronald M Levy

8

1 reference

Europe PubMed Central

30 July 2017

publication date

26 July 2011

1 reference

Europe PubMed Central

30 July 2017

Journal of Chemical Information and Modeling

1 reference

Europe PubMed Central

30 July 2017

51

1 reference

Europe PubMed Central

30 July 2017

8

1 reference

Europe PubMed Central

30 July 2017

1986-1998

1 reference

Europe PubMed Central

30 July 2017

HIV-1 Ribonuclease H: Structure, Catalytic Mechanism and Inhibitors

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3159817

5 July 2018

Interaction of HIV-1 reverse transcriptase ribonuclease H with an acylhydrazone inhibitor

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3159817

5 July 2018

Prediction of ligand-binding sites of proteins by molecular docking calculation for a random ligand library

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3159817

5 July 2018

Structural Basis for the Inhibition of RNase H Activity of HIV-1 Reverse Transcriptase by RNase H Active Site-Directed Inhibitors

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3159817

5 July 2018

Binding-site assessment by virtual fragment screening

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3159817

5 July 2018

Structure of HIV-1 Reverse Transcriptase with the Inhibitor β-Thujaplicinol Bound at the RNase H Active Site

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3159817

5 July 2018

Small molecule inhibitors of HIV RT Ribonuclease H.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3159817

5 July 2018

Three-dimensional pharmacophore methods in drug discovery

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3159817

5 July 2018

RNase H active site inhibitors of human immunodeficiency virus type 1 reverse transcriptase: design, biochemical activity, and structural information

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3159817

5 July 2018

Twenty-six years of anti-HIV drug discovery: where do we stand and where do we go?

1 reference

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5 July 2018

Automated docking screens: a feasibility study

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3159817

5 July 2018

CAUTION: popular "benchmark" data sets do not distinguish the merits of 3D QSAR methods

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3159817

5 July 2018

Identifying and characterizing binding sites and assessing druggability

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3159817

5 July 2018

Binding site detection and druggability index from first principles.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3159817

5 July 2018

HIV-1 reverse transcriptase can simultaneously engage its DNA/RNA substrate at both DNA polymerase and RNase H active sites: implications for RNase H inhibition

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3159817

5 July 2018

Design, synthesis, and biological evaluation of a series of 2-hydroxyisoquinoline-1,3(2H,4H)-diones as dual inhibitors of human immunodeficiency virus type 1 integrase and the reverse transcriptase RNase H domain

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3159817

5 July 2018

Structure and function of HIV-1 reverse transcriptase: molecular mechanisms of polymerization and inhibition

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3159817

5 July 2018

Recent advances in the research of HIV-1 RNase H inhibitors

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3159817

5 July 2018

Vinylogous ureas as a novel class of inhibitors of reverse transcriptase-associated ribonuclease H activity

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3159817

5 July 2018

Novel HIV-1 reverse transcriptase inhibitors.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3159817

5 July 2018

What do we know and when do we know it?

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3159817

5 July 2018

Structure of human RNase H1 complexed with an RNA/DNA hybrid: insight into HIV reverse transcription

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3159817

5 July 2018

Comparative performance of several flexible docking programs and scoring functions: enrichment studies for a diverse set of pharmaceutically relevant targets

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3159817

5 July 2018

HIV-1 Reverse Transcriptase Structure with RNase H Inhibitor Dihydroxy Benzoyl Naphthyl Hydrazone Bound at a Novel Site

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3159817

5 July 2018

PHASE: a new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary results

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3159817

5 July 2018

Extra precision glide: docking and scoring incorporating a model of hydrophobic enclosure for protein-ligand complexes

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3159817

5 July 2018

A critical assessment of docking programs and scoring functions

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3159817

5 July 2018

Prediction of protein-ligand interactions. Docking and scoring: successes and gaps

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3159817

5 July 2018

Recent progress in the design of small molecule inhibitors of HIV RNase H.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3159817

5 July 2018

On the nature of cavities on protein surfaces: application to the identification of drug-binding sites

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3159817

5 July 2018

Inhibition of human immunodeficiency virus type 1 reverse transcriptase, RNase H, and integrase activities by hydroxytropolones.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3159817

5 July 2018

Integrated Modeling Program, Applied Chemical Theory (IMPACT)

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3159817

5 July 2018

Selective inhibition of HIV-1 reverse transcriptase-associated ribonuclease H activity by hydroxylated tropolones

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3159817

5 July 2018

Comparison of automated docking programs as virtual screening tools

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3159817

5 July 2018

Evaluation of library ranking efficacy in virtual screening

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3159817

5 July 2018

A fluorescence-based high-throughput screening assay for inhibitors of human immunodeficiency virus-1 reverse transcriptase-associated ribonuclease H activity

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3159817

5 July 2018

Improved mapping of protein binding sites

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3159817

5 July 2018

Inhibition of HIV-1 ribonuclease H by a novel diketo acid, 4-[5-(benzoylamino)thien-2-yl]-2,4-dioxobutanoic acid

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3159817

5 July 2018

Computational mapping identifies the binding sites of organic solvents on proteins

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3159817

5 July 2018

Crystal structure of HIV-1 reverse transcriptase in complex with a polypurine tract RNA:DNA

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3159817

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The Protein Data Bank

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3159817

5 July 2018

Empirical scoring functions: I. The development of a fast empirical scoring function to estimate the binding affinity of ligands in receptor complexes.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3159817

5 July 2018

Inhibition of the ribonuclease H and DNA polymerase activities of HIV-1 reverse transcriptase by N-(4-tert-butylbenzoyl)-2-hydroxy-1-naphthaldehyde hydrazone

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3159817

5 July 2018

Automatic identification and representation of protein binding sites for molecular docking

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3159817

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VMD: visual molecular dynamics

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3159817

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Receiver-operating characteristic (ROC) plots: a fundamental evaluation tool in clinical medicine.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3159817

5 July 2018

The interaction of illimaquinone, a selective inhibitor of the RNase H activity, with the reverse transcriptases of human immunodeficiency and murine leukemia retroviruses

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3159817

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Characterization of highly immunogenic p66/p51 as the reverse transcriptase of HTLV-III/LAV.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3159817

5 July 2018

Illimaquinone, a selective inhibitor of the RNase H activity of human immunodeficiency virus type 1 reverse transcriptase

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https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3159817

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The inhibition of human immunodeficiency virus type 1 reverse transcriptase by avarol and avarone derivatives

1 reference

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Computational approaches to identifying and characterizing protein binding sites for ligand design

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3159817

29 October 2018

Comparison of several molecular docking programs: pose prediction and virtual screening accuracy.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3159817

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A high-throughput screen for aggregation-based inhibition in a large compound library.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3159817

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Structure-based maximal affinity model predicts small-molecule druggability.

1 reference

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6-[1-(4-Fluorophenyl)methyl-1H-pyrrol-2-yl)]-2,4-dioxo-5-hexenoic acid ethyl ester a novel diketo acid derivative which selectively inhibits the HIV-1 viral replication in cell culture and the ribonuclease H activity in vitro

1 reference

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29 October 2018

Dissecting the effects of DNA polymerase and ribonuclease H inhibitor combinations on HIV-1 reverse-transcriptase activities

1 reference

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A detailed comparison of current docking and scoring methods on systems of pharmaceutical relevance

1 reference

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Activity of the isolated HIV RNase H domain and specific inhibition by N-hydroxyimides

1 reference

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Destabilization of the HIV-1 reverse transcriptase dimer upon interaction with N-acyl hydrazone inhibitors

1 reference

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29 October 2018

Inhibitory effects of quinones on RNase H activity associated with HIV-1 reverse transcriptase

1 reference

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29 October 2018

Mutational analysis of Tyr-501 of HIV-1 reverse transcriptase. Effects on ribonuclease H activity and inhibition of this activity by N-acylhydrazones

1 reference

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29 October 2018

Catalytically distinct conformations of the ribonuclease H of HIV-1 reverse transcriptase by substrate cleavage patterns and inhibition by azidothymidylate and N-ethylmaleimide

1 reference

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The trouble with QSAR (or how I learned to stop worrying and embrace fallacy)

1 reference

https://pubmed.ncbi.nlm.nih.gov/21714567

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Structure-based identification of small molecule binding sites using a free energy model

1 reference

https://pubmed.ncbi.nlm.nih.gov/21714567

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Virtual screening workflow development guided by the "receiver operating characteristic" curve approach. Application to high-throughput docking on metabotropic glutamate receptor subtype 4

1 reference

https://pubmed.ncbi.nlm.nih.gov/21714567

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Inhibition of the RNase H activity of HIV reverse transcriptase by azidothymidylate

1 reference

https://pubmed.ncbi.nlm.nih.gov/21714567

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

New method for fast and accurate binding-site identification and analysis

1 reference

https://pubmed.ncbi.nlm.nih.gov/21714567

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identifiers

10.1021/CI200194W

1 reference

Europe PubMed Central

30 July 2017

DBLP publication ID

journals/jcisd/FeltsLBPHAPL11

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

Europe PubMed Central

30 July 2017

1 reference

Europe PubMed Central

30 July 2017

ResearchGate publication ID

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