Insight into the inhibitory mechanism and binding mode between D77 and HIV-1 integrase by molecular modeling methods (Q45330213)

13 December 2017

Insight into the inhibitory mechanism and binding mode between D77 and HIV-1 integrase by molecular modeling methods (English)

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13 December 2017

Ping Li

1

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13 December 2017

Jian Jun Tan

2

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13 December 2017

Ming Liu

3

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13 December 2017

Xiao Yi Zhang

4

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13 December 2017

Wei Zu Chen

5

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13 December 2017

Cun Xin Wang

6

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13 December 2017

1 October 2011

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Journal of Biomolecular Structure and Dynamics

13 December 2017

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13 December 2017

29

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13 December 2017

2

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13 December 2017

311-323

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describes a project that uses

13 December 2017

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Therapeutic strategies underpinning the development of novel techniques for the treatment of HIV infection.

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

Development of integrase inhibitors of quinolone acid derivatives for treatment of AIDS: an overview

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

Zinc folds the N-terminal domain of HIV-1 integrase, promotes multimerization, and enhances catalytic activity

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

Zn2+ promotes the self-association of human immunodeficiency virus type-1 integrase in vitro

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

Residues critical for retroviral integrative recombination in a region that is highly conserved among retroviral/retrotransposon integrases and bacterial insertion sequence transposases

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

Bacterial transposases and retroviral integrases.

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

Identification of the catalytic and DNA-binding region of the human immunodeficiency virus type I integrase protein

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

HIV-1 integrase forms stable tetramers and associates with LEDGF/p75 protein in human cells

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

A role for LEDGF/p75 in targeting HIV DNA integration

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

The family of hepatoma-derived growth factor proteins: characterization of a new member HRP-4 and classification of its subfamilies

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

Isolation of cDNAs encoding novel transcription coactivators p52 and p75 reveals an alternate regulatory mechanism of transcriptional activation

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

Lens epithelium-derived growth factor: effects on growth and survival of lens epithelial cells, keratinocytes, and fibroblasts

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

Identification of an evolutionarily conserved domain in human lens epithelium-derived growth factor/transcriptional co-activator p75 (LEDGF/p75) that binds HIV-1 integrase

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

Identification and characterization of the chromatin-binding domains of the HIV-1 integrase interactor LEDGF/p75.

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

Solution structure of the HIV-1 integrase-binding domain in LEDGF/p75

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

Seeing is believing: structure of the catalytic domain of HIV-1 integrase in complex with human LEDGF/p75.

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

Structural basis for the recognition between HIV-1 integrase and transcriptional coactivator p75.

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

Lens epithelium-derived growth factor/p75 prevents proteasomal degradation of HIV-1 integrase

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

Integrase mutants defective for interaction with LEDGF/p75 are impaired in chromosome tethering and HIV-1 replication

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

An essential role for LEDGF/p75 in HIV integration

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

D77, one benzoic acid derivative, functions as a novel anti-HIV-1 inhibitor targeting the interaction between integrase and cellular LEDGF/p75.

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

Anti-infectious bronchitis virus (IBV) activity of 1,8-cineole: effect on nucleocapsid (N) protein

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

Insight derived from molecular dynamics simulation into substrate-induced changes in protein motions of proteinase K.

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

Structural features of the interfaces in enzyme-inhibitor complexes.

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

A theoretical elucidation of glucose interaction with HSA's domains.

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

Molecular docking studies to map the binding site of squalene synthase inhibitors on dehydrosqualene synthase of Staphylococcus aureus.

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

A novel strategy for designing the selective PPAR agonist by the "sum of activity" model

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

Structure-based and ligand-based drug design for HER 2 receptor

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

Molecular modeling of Mycobacterium tuberculosis DNA gyrase and its molecular docking study with gatifloxacin inhibitors

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

Virtual screening and drug design for PDE-5 receptor from traditional Chinese medicine database

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

Key features for designing phosphodiesterase-5 inhibitors

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

Docking simulation and competitive experiments validate the interaction between the 2,5-xylidine inhibitor and Rigidoporus lignosus laccase

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

A conformationally constrained peptidomimetic binds to the extracellular region of HER2 protein

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

Investigation of the effect of glycosylation on human prion protein by molecular dynamics

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

Construction and assessment of reaction models of class I EPSP synthase: molecular docking and density functional theoretical calculations.

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

Molecular modeling of human pentameric alpha(7) neuronal nicotinic acetylcholine receptor and its interaction with its agonist and competitive antagonist

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

The effects of deferiprone and deferasirox on the structure and function of beta-thalassemia hemoglobin.

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

Homology modeling of GLUT4, an insulin regulated facilitated glucose transporter and docking studies with ATP and its inhibitors

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

Computational studies of human galectin-1: role of conserved tryptophan residue in stacking interaction with carbohydrate ligands.

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

Binding of TCA to the prion protein: mechanism, implication for therapy, and application as probe for complex formation of bio-macromolecules.

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

Computer-aided drug design of novel PLA2 inhibitor candidates for treatment of snakebite

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

Comparative studies on the interaction between bovine beta-lacto-globulin type A and B and a new designed Pd(II) complex with anti-tumor activity at different temperatures

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

Weighted equation and rules--a novel concept for evaluating protein-ligand interaction

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

Ligand-based dual target drug design for H1N1: swine flu--a preliminary first study

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

An insight to the dynamics of conserved water molecular triad in IMPDH II (human): recognition of cofactor and substrate to catalytic Arg 322.

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

Computational model of the HIV-1 subtype A V3 loop: study on the conformational mobility for structure-based anti-AIDS drug design

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

A docking study using atomistic conformers generated via elastic network model for cyclosporin A/cyclophilin A complex.

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

Computational drug design accommodating receptor flexibility: the relaxed complex scheme

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

An improved relaxed complex scheme for receptor flexibility in computer-aided drug design

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

Calculating structures and free energies of complex molecules: combining molecular mechanics and continuum models

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

Biomolecular simulations: recent developments in force fields, simulations of enzyme catalysis, protein-ligand, protein-protein, and protein-nucleic acid noncovalent interactions

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculations

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

Comparison of simple potential functions for simulating liquid water

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

VMD: visual molecular dynamics

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

A semiempirical free energy force field with charge-based desolvation

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

Study on the inhibitory mechanism and binding mode of the hydroxycoumarin compound NSC158393 to HIV-1 integrase by molecular modeling

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

Classical electrostatics in biology and chemistry

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

Approximate atomic surfaces from linear combinations of pairwise overlaps (LCPO)

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

Comparative molecular dynamics simulations of histone deacetylase-like protein: binding modes and free energy analysis to hydroxamic acid inhibitors

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

Insight through molecular mechanics Poisson-Boltzmann surface area calculations into the binding affinity of triclosan and three analogues for FabI, the E. coli enoyl reductase.

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

Critical contacts between HIV-1 integrase and viral DNA identified by structure-based analysis and photo-crosslinking

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

Sequence specificity of viral end DNA binding by HIV-1 integrase reveals critical regions for protein-DNA interaction

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

Genetic analyses of DNA-binding mutants in the catalytic core domain of human immunodeficiency virus type 1 integrase

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

An unusual helix turn helix motif in the catalytic core of HIV-1 integrase binds viral DNA and LEDGF.

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

Discovery of a small-molecule HIV-1 integrase inhibitor-binding site

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

LEDGF/p75 interacts with divergent lentiviral integrases and modulates their enzymatic activity in vitro

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2011.10507387

10.1080/07391102.2011.10507387

21 January 2018

Identifiers

DOI

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Fatcat

https://api.fatcat.wiki/v0/release/carkchqytbavnmiafa4yso5kia

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Fatcat

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mapped directly with Wikidata item

30 July 2022

based on heuristic

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https://api.fatcat.wiki/v0/release/carkchqytbavnmiafa4yso5kia