(Q28481635)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22848570%20AND%20SRC:MED&resulttype=core&format=json

9 February 2020

title

Proteochemometric modeling of the bioactivity spectra of HIV-1 protease inhibitors by introducing protein-ligand interaction fingerprint (English)

1 reference

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9 February 2020

5

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9 February 2020

Rui-Xin Zhu

7

1 reference

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9 February 2020

author name string

Qi Huang

1

1 reference

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9 February 2020

Haixiao Jin

2

1 reference

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9 February 2020

Qi Liu

3

1 reference

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9 February 2020

Qiong Wu

4

1 reference

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9 February 2020

Zhiwei Cao

6

1 reference

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9 February 2020

language of work or name

English

0 references

publication date

27 July 2012

1 reference

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9 February 2020

1 reference

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9 February 2020

volume

7

1 reference

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9 February 2020

issue

7

1 reference

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9 February 2020

page(s)

e41698

1 reference

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Creative Commons Attribution 4.0 International

9 February 2020

copyright license

start time

27 July 2012

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

0 references

cites work

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Darunavir, a conceptually new HIV-1 protease inhibitor for the treatment of drug-resistant HIV

19 March 2017

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Selection and characterization of HIV-1 showing reduced susceptibility to the non-peptidic protease inhibitor tipranavir

19 March 2017

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A potent human immunodeficiency virus type 1 protease inhibitor, UIC-94003 (TMC-126), and selection of a novel (A28S) mutation in the protease active site

19 March 2017

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Counteracting HIV-1 protease drug resistance: structural analysis of mutant proteases complexed with XV638 and SD146, cyclic urea amides with broad specificities

19 March 2017

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19 March 2017

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Virtual drug screen schema based on multiview similarity integration and ranking aggregation

7 April 2017

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Multi-target QSAR modelling in the analysis and design of HIV-HCV co-inhibitors: an in-silico study

29 September 2017

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Thirty years of HIV and AIDS: future challenges and opportunities

29 September 2017

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Mangiferin, an anti-HIV-1 agent targeting protease and effective against resistant strains.

29 September 2017

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Kinome-wide interaction modelling using alignment-based and alignment-independent approaches for kinase description and linear and non-linear data analysis techniques

29 September 2017

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Decomposing the energetic impact of drug resistant mutations in HIV-1 protease on binding DRV.

29 September 2017

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Fifteen years of HIV Protease Inhibitors: raising the barrier to resistance

29 September 2017

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QSAR models for 2-amino-6-arylsulfonylbenzonitriles and congeners HIV-1 reverse transcriptase inhibitors based on linear and nonlinear regression methods.

29 September 2017

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Interaction model based on local protein substructures generalizes to the entire structural enzyme-ligand space.

29 September 2017

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Proteochemometric modeling of HIV protease susceptibility

29 September 2017

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Towards the development of universal, fast and highly accurate docking/scoring methods: a long way to go.

29 September 2017

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Indolyl aryl sulphones as HIV-1 non-nucleoside reverse transcriptase inhibitors: synthesis, biological evaluation and binding mode studies of new derivatives at indole-2-carboxamide

29 September 2017

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

29 September 2017

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Generalized modeling of enzyme-ligand interactions using proteochemometrics and local protein substructures

29 September 2017

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Improved approach for proteochemometrics modeling: application to organic compound--amine G protein-coupled receptor interactions

29 September 2017

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Docking and scoring in virtual screening for drug discovery: methods and applications

29 September 2017

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Virtual screening methods that complement HTS.

29 September 2017

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Computer-aided design, synthesis, and anti-HIV-1 activity in vitro of 2-alkylamino-6-[1-(2,6-difluorophenyl)alkyl]-3,4-dihydro-5-alkylpyrimidin-4(3H)-ones as novel potent non-nucleoside reverse transcriptase inhibitors, also active against the Y181C

29 September 2017

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Structural interaction fingerprint (SIFt): a novel method for analyzing three-dimensional protein-ligand binding interactions

29 September 2017

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Revisiting free energy calculations: a theoretical connection to MM/PBSA and direct calculation of the association free energy

29 September 2017

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29 September 2017

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29 September 2017

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Towards Proteome-Wide Interaction Models Using the Proteochemometrics Approach

29 September 2017

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2 June 2018

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New chemical descriptors relevant for the design of biologically active peptides. A multivariate characterization of 87 amino acids

2 June 2018

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HIV-reverse transcriptase inhibition: inclusion of ligand-induced fit by cross-docking studies

2 June 2018

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3,4,5-Trisubstituted-1,2,4-4H-triazoles as WT and Y188L mutant HIV-1 non-nucleoside reverse transcriptase inhibitors: docking-based CoMFA and CoMSIA analyses.

21 January 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PONE.0041698

"In situ cross-docking" to simultaneously address multiple targets.

21 January 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PONE.0041698

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PONE.0041698

Proteochemometric modeling of drug resistance over the mutational space for multiple HIV protease variants and multiple protease inhibitors

21 January 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PONE.0041698

Proteochemometrics modeling of the interaction of amine G-protein coupled receptors with a diverse set of ligands

21 January 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PONE.0041698

Proteochemometric modeling as a tool to design selective compounds and for extrapolating to novel targets

21 January 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PONE.0041698

Comparative study of QSAR/QSPR correlations using support vector machines, radial basis function neural networks, and multiple linear regression.

21 January 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PONE.0041698

Classifying 'drug-likeness' with kernel-based learning methods.

21 January 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PONE.0041698

A major role for a set of non-active site mutations in the development of HIV-1 protease drug resistance

21 January 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PONE.0041698

APIF: a new interaction fingerprint based on atom pairs and its application to virtual screening.

21 January 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PONE.0041698

Energetic basis for drug resistance of HIV-1 protease mutants against amprenavir

21 January 2018

1 reference

12 December 2020

Origin of decrease in potency of darunavir and two related antiviral inhibitors against HIV-2 compared to HIV-1 protease

1 reference

12 December 2020

QSAR analysis of some 5-amino-2-mercapto-1,3,4-thiadiazole based inhibitors of matrix metalloproteinases and bacterial collagenase

1 reference

12 December 2020

Computational studies on HIV-1 protease inhibitors: influence of calculated inhibitor-enzyme binding affinities on the statistical quality of 3D-QSAR CoMFA models

1 reference

12 December 2020

HIV prevention. Halting HIV/AIDS epidemics

1 reference

12 December 2020

1 reference

12 December 2020

10.1371/JOURNAL.PONE.0041698

Identifiers

DOI

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22848570%20AND%20SRC:MED&resulttype=core&format=json

9 February 2020

0 references

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22848570%20AND%20SRC:MED&resulttype=core&format=json

9 February 2020

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22848570%20AND%20SRC:MED&resulttype=core&format=json