Thiobarbiturates as sirtuin inhibitors: virtual screening, free-energy calculations, and biological testing (Q30319319)

17 June 2017

Thiobarbiturates as sirtuin inhibitors: virtual screening, free-energy calculations, and biological testing (English)

1 reference

17 June 2017

1 reference

Rene Meier

6

0 references

Manfred Jung

object named as

Manfred Jung

8

0 references

Wolfgang Sippl

object named as

Wolfgang Sippl

9

0 references

Eric Verdin

object named as

Eric Verdin

7

0 references

author name string

Urszula Uciechowska

1

1 reference

17 June 2017

Jörg Schemies

2

1 reference

17 June 2017

Robert C Neugebauer

3

1 reference

17 June 2017

Elisabeth-Maria Huda

4

1 reference

17 June 2017

Martin L Schmitt

5

1 reference

17 June 2017

1 December 2008

1 reference

17 June 2017

1 reference

17 June 2017

3

1 reference

17 June 2017

12

1 reference

17 June 2017

1965-1976

1 reference

In vitro assays for the determination of histone deacetylase activity

17 June 2017

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800104

Preparation of enzymatically active recombinant class III protein deacetylases.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800104

Deacetylase enzymes: biological functions and the use of small-molecule inhibitors

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800104

7 January 2021

Sirtuins: Sir2-related NAD-dependent protein deacetylases

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800104

7 January 2021

Histone-deacetylase inhibitors: novel drugs for the treatment of cancer

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800104

7 January 2021

Transcriptional silencing and longevity protein Sir2 is an NAD-dependent histone deacetylase

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800104

7 January 2021

SIRT1 regulates HIV transcription via Tat deacetylation

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800104

7 January 2021

hSIR2(SIRT1) functions as an NAD-dependent p53 deacetylase

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800104

7 January 2021

Acetylation inactivates the transcriptional repressor BCL6.

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800104

7 January 2021

Sirt1 inhibitor, Sirtinol, induces senescence-like growth arrest with attenuated Ras-MAPK signaling in human cancer cells

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800104

7 January 2021

Sirtuin 2 inhibitors rescue alpha-synuclein-mediated toxicity in models of Parkinson's disease

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800104

7 January 2021

Chromatin modifications as targets for new anticancer drugs

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800104

7 January 2021

Phloroglucinol derivatives guttiferone G, aristoforin, and hyperforin: inhibitors of human sirtuins SIRT1 and SIRT2.

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800104

7 January 2021

Identification of a class of small molecule inhibitors of the sirtuin family of NAD-dependent deacetylases by phenotypic screening

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800104

7 January 2021

Nonisotopic substrate for assaying both human zinc and NAD+-dependent histone deacetylases

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800104

7 January 2021

Design, synthesis, and biological evaluation of sirtinol analogues as class III histone/protein deacetylase (Sirtuin) inhibitors

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800104

7 January 2021

An in silico approach to discovering novel inhibitors of human sirtuin type 2.

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800104

7 January 2021

Discovering inhibitors of human sirtuin type 2: novel structural scaffolds

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800104

7 January 2021

Antitumor activity of a small-molecule inhibitor of human silent information regulator 2 enzymes

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800104

7 January 2021

Discovery of indoles as potent and selective inhibitors of the deacetylase SIRT1.

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800104

7 January 2021

Structure-activity studies on suramin analogues as inhibitors of NAD+-dependent histone deacetylases (sirtuins)

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800104

7 January 2021

Small molecule activators of sirtuins extend Saccharomyces cerevisiae lifespan

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800104

7 January 2021

Adenosine mimetics as inhibitors of NAD+-dependent histone deacetylases, from kinase to sirtuin inhibition

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800104

7 January 2021

Structure-activity studies on splitomicin derivatives as sirtuin inhibitors and computational prediction of binding mode

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800104

7 January 2021

Inhibitors of Sir2: evaluation of splitomicin analogues

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800104

7 January 2021

Mechanism of sirtuin inhibition by nicotinamide: altering the NAD(+) cosubstrate specificity of a Sir2 enzyme

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800104

7 January 2021

Structure of the histone deacetylase SIRT2

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800104

7 January 2021

Development and validation of a genetic algorithm for flexible docking

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800104

7 January 2021

Scoring functions--the first 100 years.

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800104

7 January 2021

The Amber biomolecular simulation programs

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800104

7 January 2021

Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800104

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800104

7 January 2021

Converging free energy estimates: MM-PB(GB)SA studies on the protein-protein complex Ras-Raf.

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800104

7 January 2021

SIRT1 activation confers neuroprotection in experimental optic neuritis

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800104

7 January 2021

Structure Function Analysis of Leishmania Sirtuin: An Ensemble of In Silico and Biochemical Studies

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800104

7 January 2021

A computational procedure for determining energetically favorable binding sites on biologically important macromolecules

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800104

7 January 2021

Comparison of multiple Amber force fields and development of improved protein backbone parameters

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800104

7 January 2021

Development and testing of a general amber force field

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800104

7 January 2021

Automatic atom type and bond type perception in molecular mechanical calculations

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800104

7 January 2021

Free energy calculations on dimer stability of the HIV protease using molecular dynamics and a continuum solvent model

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800104

7 January 2021

Novel Zinc Protein Molecular Dynamics Simulations: Steps Toward Antiangiogenesis for Cancer Treatment

1 reference

https://api.crossref.org/works/10.1002%2FCMDC.200800104

7 January 2021

Identifiers

DOI

10.1002/CMDC.200800104

1 reference

17 June 2017

1 reference