Predicting the reactivity of nitrile-carrying compounds with cysteine: a combined computational and experimental study (Q33636140)

24900869

28 July 2017

title

Predicting the reactivity of nitrile-carrying compounds with cysteine: a combined computational and experimental study (English)

1 reference

28 July 2017

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24900869%20AND%20SRC:MED&resulttype=core&format=json

7 June 2020

Federica Vacondio

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24900869%20AND%20SRC:MED&resulttype=core&format=json

7 June 2020

Alessio Lodola

3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24900869%20AND%20SRC:MED&resulttype=core&format=json

7 June 2020

Michele Bassi

4

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24900869%20AND%20SRC:MED&resulttype=core&format=json

7 June 2020

Marco Mor

6

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24900869%20AND%20SRC:MED&resulttype=core&format=json

7 June 2020

5

Claudia Silva

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24900869%20AND%20SRC:MED&resulttype=core&format=json

7 June 2020

author name string

Andrea Cavalli

7

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24900869%20AND%20SRC:MED&resulttype=core&format=json

7 June 2020

publication date

24 February 2014

1 reference

24900869

ACS Medicinal Chemistry Letters

28 July 2017

published in

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24900869%20AND%20SRC:MED&resulttype=core&format=json

7 June 2020

volume

5

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24900869%20AND%20SRC:MED&resulttype=core&format=json

7 June 2020

issue

5

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24900869%20AND%20SRC:MED&resulttype=core&format=json

7 June 2020

page(s)

501-505

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24900869%20AND%20SRC:MED&resulttype=core&format=json

A catalytic mechanism for cysteine N-terminal nucleophile hydrolases, as revealed by free energy simulations

7 June 2020

cites work

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4027605

The resurgence of covalent drugs

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4027605

Bridging quantum mechanics and structure-based drug design

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4027605

Nitrile-containing pharmaceuticals: efficacious roles of the nitrile pharmacophore

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4027605

Development of nitrile-based peptidic inhibitors of cysteine cathepsins

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4027605

Anastrozole Use in Early Stage Breast Cancer of Post-Menopausal Women

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4027605

The pK(BHX) database: toward a better understanding of hydrogen-bond basicity for medicinal chemists

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4027605

Vildagliptin: a new oral treatment for type 2 diabetes mellitus

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4027605

The discovery of odanacatib (MK-0822), a selective inhibitor of cathepsin K.

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4027605

Molecular dynamics simulations of the catalytic pathway of a cysteine protease: a combined QM/MM study of human cathepsin K.

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4027605

The discovery and mechanism of action of letrozole

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4027605

Novel scaffold for cathepsin K inhibitors

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4027605

Identification of a potent and selective non-basic cathepsin K inhibitor

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4027605

2-Amino-9-aryl-3-cyano-4-methyl-7-oxo-6,7,8,9-tetrahydropyrido[2',3':4,5]thieno[2,3-b]pyridine derivatives as selective progesterone receptor agonists.

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4027605

A simple in vitro assay for assessing the reactivity of nitrile containing compounds.

30 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4027605

Designer magnets containing cyanides and nitriles

30 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4027605

Determination of the microscopic ionization constants

30 October 2018

1 reference

12 December 2020

Tuning and predicting biological affinity: aryl nitriles as cysteine protease inhibitors

1 reference

12 December 2020

Structural Fluctuations in Enzyme-Catalyzed Reactions: Determinants of Reactivity in Fatty Acid Amide Hydrolase from Multivariate Statistical Analysis of Quantum Mechanics/Molecular Mechanics Paths

1 reference

12 December 2020

Peptide aldehydes and nitriles as transition state analog inhibitors of cysteine proteases

1 reference

12 December 2020

Structural optimization of azadipeptide nitriles strongly increases association rates and allows the development of selective cathepsin inhibitors

1 reference

12 December 2020

A generally applicable method for assessing the electrophilicity and reactivity of diverse nitrile-containing compounds

1 reference

12 December 2020

Unsaturated nitriles: conjugate additions of carbon nucleophiles to a recalcitrant class of acceptors

1 reference

12 December 2020

Identifiers

DOI

10.1021/ML400489B

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24900869%20AND%20SRC:MED&resulttype=core&format=json

7 June 2020

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24900869%20AND%20SRC:MED&resulttype=core&format=json

7 June 2020

24900869

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24900869%20AND%20SRC:MED&resulttype=core&format=json