(Q35691760)

English

Binding conformation of 2-oxoamide inhibitors to group IVA cytosolic phospholipase A2 determined by molecular docking combined with molecular dynamics

scientific article published on 10 January 2012

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scholarly article

1 reference

Europe PubMed Central

9 August 2017

Binding conformation of 2-oxoamide inhibitors to group IVA cytosolic phospholipase A2 determined by molecular docking combined with molecular dynamics (English)

1 reference

Europe PubMed Central

9 August 2017

Thomas Mavromoustakos

object named as

Thomas Mavromoustakos

4

0 references

Edward A. Dennis

object named as

Edward A Dennis

5

0 references

author name string

Varnavas D Mouchlis

1

1 reference

Europe PubMed Central

9 August 2017

Vasiliki Michopoulou

2

1 reference

Europe PubMed Central

9 August 2017

Violetta Constantinou-Kokotou

3

1 reference

Europe PubMed Central

9 August 2017

George Kokotos

6

1 reference

Europe PubMed Central

9 August 2017

publication date

10 January 2012

1 reference

Europe PubMed Central

9 August 2017

Journal of Chemical Information and Modeling

1 reference

Europe PubMed Central

9 August 2017

52

1 reference

Europe PubMed Central

9 August 2017

1

1 reference

Europe PubMed Central

9 August 2017

243-254

1 reference

Europe PubMed Central

9 August 2017

Phospholipase A2 enzymes: physical structure, biological function, disease implication, chemical inhibition, and therapeutic intervention

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3265118

12 July 2018

The application of rational design on phospholipase A(2) inhibitors.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3265118

12 July 2018

Inhibition of secreted phospholipases A₂ by 2-oxoamides based on α-amino acids: Synthesis, in vitro evaluation and molecular docking calculations.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3265118

12 July 2018

Design of new secreted phospholipase A2 inhibitors based on docking calculations by modifying the pharmacophore segments of the FPL67047XX inhibitor

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3265118

12 July 2018

Phospholipase A2 inhibitors as potential therapeutic agents for the treatment of inflammatory diseases.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3265118

12 July 2018

Location of inhibitors bound to group IVA phospholipase A2 determined by molecular dynamics and deuterium exchange mass spectrometry

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3265118

12 July 2018

Phospholipase A2 biochemistry

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3265118

12 July 2018

Indole cytosolic phospholipase A2 alpha inhibitors: discovery and in vitro and in vivo characterization of 4-{3-[5-chloro-2-(2-{[(3,4-dichlorobenzyl)sulfonyl]amino}ethyl)-1-(diphenylmethyl)-1H-indol-3-yl]propyl}benzoic acid, efipladib

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3265118

12 July 2018

Optimization by Simulated Annealing

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3265118

12 July 2018

Discovery of Ecopladib, an indole inhibitor of cytosolic phospholipase A2alpha

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3265118

12 July 2018

Properties of the Group IV phospholipase A2 family

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3265118

12 July 2018

Differential inhibition of group IVA and group VIA phospholipases A2 by 2-oxoamides

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3265118

12 July 2018

Inhibition of cytosolic phospholipase A2alpha: hit to lead optimization

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3265118

12 July 2018

Systemic and intrathecal effects of a novel series of phospholipase A2 inhibitors on hyperalgesia and spinal prostaglandin E2 release

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3265118

12 July 2018

Inhibition of group IVA cytosolic phospholipase A2 by novel 2-oxoamides in vitro, in cells, and in vivo

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3265118

12 July 2018

Surflex: fully automatic flexible molecular docking using a molecular similarity-based search engine

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3265118

12 July 2018

Characterization of a novel inhibitor of cytosolic phospholipase A2alpha, pyrrophenone

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3265118

12 July 2018

Pyrrolidine inhibitors of human cytosolic phospholipase A2. Part 2: synthesis of potent and crystallized 4-triphenylmethylthio derivative 'pyrrophenone'.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3265118

12 July 2018

Synthesis of 2-Oxo amide triacylglycerol analogues and study of their inhibition effect on pancreatic and gastric lipases

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3265118

12 July 2018

Pyrrolidine inhibitors of human cytosolic phospholipase A(2).

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3265118

12 July 2018

Crystal structure of human cytosolic phospholipase A2 reveals a novel topology and catalytic mechanism

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3265118

12 July 2018

Reduced fertility and postischaemic brain injury in mice deficient in cytosolic phospholipase A2.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3265118

12 July 2018

Identification of essential residues for the catalytic function of 85-kDa cytosolic phospholipase A2. Probing the role of histidine, aspartic acid, cysteine, and arginine

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3265118

12 July 2018

Functional identification of the active-site nucleophile of the human 85-kDa cytosolic phospholipase A2.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3265118

12 July 2018

Serine 228 is essential for catalytic activities of 85-kDa cytosolic phospholipase A2

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3265118

12 July 2018

The Ca2(+)-sensitive cytosolic phospholipase A2 is a 100-kDa protein in human monoblast U937 cells

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3265118

12 July 2018

A novel arachidonic acid-selective cytosolic PLA2 contains a Ca(2+)-dependent translocation domain with homology to PKC and GAP

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3265118

12 July 2018

Molecular docking and 3D-QSAR CoMFA studies on indole inhibitors of GIIA secreted phospholipase A(2).

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3265118

25 September 2018

A phospholipid substrate molecule residing in the membrane surface mediates opening of the lid region in group IVA cytosolic phospholipase A2.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3265118

25 September 2018

Structure-activity relationship of 2-oxoamide inhibition of group IVA cytosolic phospholipase A2 and group V secreted phospholipase A2.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3265118

25 September 2018

Synthesis and activity of 2-oxoamides containing long chain beta-amino acids

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3265118

25 September 2018

Structure-activity relationships of indole cytosolic phospholipase A(2)alpha inhibitors: substrate mimetics

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3265118

25 September 2018

Novel 2-oxoamide inhibitors of human group IVA phospholipase A(2).

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3265118

25 September 2018

Design and synthesis of a novel and potent series of inhibitors of cytosolic phospholipase A(2) based on a 1,3-disubstituted propan-2-one skeleton

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3265118

25 September 2018

Hammerhead: fast, fully automated docking of flexible ligands to protein binding sites.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3265118

25 September 2018

1,2,4-Oxadiazolidin-3,5-diones and 1,3,5-triazin-2,4,6-triones as cytosolic phospholipase A2alpha inhibitors

1 reference

https://pubmed.ncbi.nlm.nih.gov/22196172

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Design and synthesis of 1-indol-1-yl-propan-2-ones as inhibitors of human cytosolic phospholipase A2alpha

1 reference

https://pubmed.ncbi.nlm.nih.gov/22196172

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

1-(5-Carboxy- and 5-carbamoylindol-1-yl)propan-2-ones as inhibitors of human cytosolic phospholipase A2alpha: bioisosteric replacement of the carboxylic acid and carboxamide moiety

1 reference

https://pubmed.ncbi.nlm.nih.gov/22196172

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Epik: a software program for pK( a ) prediction and protonation state generation for drug-like molecules

1 reference

https://pubmed.ncbi.nlm.nih.gov/22196172

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

1-(2-Carboxyindol-5-yloxy)propan-2-ones as inhibitors of human cytosolic phospholipase A2alpha: synthesis, biological activity, metabolic stability, and solubility

1 reference

https://pubmed.ncbi.nlm.nih.gov/22196172

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

The OPLS [optimized potentials for liquid simulations] potential functions for proteins, energy minimizations for crystals of cyclic peptides and crambin

1 reference

https://pubmed.ncbi.nlm.nih.gov/22196172

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Scoring noncovalent protein-ligand interactions: a continuous differentiable function tuned to compute binding affinities

1 reference

https://pubmed.ncbi.nlm.nih.gov/22196172

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Role of cytosolic phospholipase A2 in allergic response and parturition

1 reference

https://pubmed.ncbi.nlm.nih.gov/22196172

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identifiers

10.1021/CI2005093

1 reference

Europe PubMed Central

9 August 2017

DBLP publication ID

journals/jcisd/MouchlisMCMDK12

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

Europe PubMed Central

9 August 2017

1 reference

Europe PubMed Central

9 August 2017

ResearchGate publication ID

0 references

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