2006
DOI: 10.1016/j.bmc.2005.11.006
|View full text |Cite
|
Sign up to set email alerts
|

Discovering novel chemical inhibitors of human cyclophilin A: Virtual screening, synthesis, and bioassay

Abstract: Cyclophilin A (CypA) is a member of cyclophilins, a family of the highly homologous peptidyl prolyl cis-trans isomerases (PPIases), which can bind to cyclosporin A (CsA). CypA plays critical roles in various biological processes, including protein folding, assembly, transportation, regulation of neuron growth, and HIV replication. The discovery of CypA inhibitor is now of a great special interest in the treatment of immunological disorders. In this study, a series of novel small molecular CypA inhibitors have … Show more

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...
2
1
1
1

Citation Types

1
38
1

Year Published

2006
2006
2018
2018

Publication Types

Select...
8
1

Relationship

3
6

Authors

Journals

citations
Cited by 43 publications
(40 citation statements)
references
References 45 publications
1
38
1
Order By: Relevance
“…3 Virtual screening is also used to prioritize compounds for testing, for example, to select nonproprietary compounds which have to be bought from external vendors. 4 In this article, seven different methods are compared in terms of their capability to divide a database into molecules predicted to be active and those predicted to be inactive. In regard to this classification problem, we were interested in comparing the methods in terms of their capability to enrich actives in the subset of compounds predicted to be active and to what degree they are capable of retrieving as many actives as possible.…”
Section: Introductionmentioning
confidence: 99%
“…3 Virtual screening is also used to prioritize compounds for testing, for example, to select nonproprietary compounds which have to be bought from external vendors. 4 In this article, seven different methods are compared in terms of their capability to divide a database into molecules predicted to be active and those predicted to be inactive. In regard to this classification problem, we were interested in comparing the methods in terms of their capability to enrich actives in the subset of compounds predicted to be active and to what degree they are capable of retrieving as many actives as possible.…”
Section: Introductionmentioning
confidence: 99%
“…It has only been shown recently that small molecules can differentiate between isoforms of cyclophilins, particularly CypA and CypB. These results have emanated primarily from the laboratories of Fisher [113,183,184] and Li [185][186][187]. Recent structural analysis of known human cyclophilins utilizing both X-ray crystal structures and homology modeling assuming an invariant Arg (Arg55 and Arg63 for CypA and CypB, respectively) have identified two specific locations near the catalytic site likely to confer isoform selectivity: the S2 pocket and the S1â€Č pocket.…”
Section: Small Molecule Inhibitors Of Cyp A/bmentioning
confidence: 99%
“…5 Recently, SPR technology has been recognized as a powerful tool in monitoring receptor-ligand interactions with advantages of no-labeling, real-time, noninvasive measurements and low sample consumption. 8 It has been widely used in hit determination, 7,9 and more and more successful cases have been published. 10,11 Fluorescence resonance energy transfer (FRET) technology-based assay belongs to another potent system applied in lead compound discovery.…”
Section: Sars-cov 3clmentioning
confidence: 99%
“…SPR technology has been widely used to investigate proteinmacromolecule 27,28 and protein-small molecular compound 5,7 interactions for its obvious advantages such as label-free, sensitive, real-time, noninvasive measurements, low sample consumption, and high throughput. Recently, this technology has also been applied in the discovery of inhibitors against varied enzymes, such as HIV-1 protease, 9 human cyclophilin A, 7 and human 5-lipoxygenase. 10 In our previous reports, we ever successfully used SPR technology for discovering SARS-CoV 3CL pro small molecular inhibitors 5 and performing SARS-CoV 3CL pro -related research.…”
Section: Spr Technology-based Binder Identificationmentioning
confidence: 99%