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dc.contributor.author
Wenz, Jorge Javier  
dc.date.available
2016-07-05T18:49:51Z  
dc.date.issued
2012-03  
dc.identifier.citation
Wenz, Jorge Javier; Predicting the effect of steroids on membrane biophysical properties based on the molecular structure; Elsevier; Biochimica Et Biophysica Acta - Biomembranes; 1818; 3; 3-2012; 896-906  
dc.identifier.issn
0005-2736  
dc.identifier.uri
http://hdl.handle.net/11336/6368  
dc.description.abstract
The relationship between sterol structure and the resulting effects on membrane physical properties is still unclear, owing to the conflicting results found in the current literature. This study presents a multivariate analysis describing the physical properties of 83 steroid membranes. This first structure-activity analysis supports the generally accepted physical effects of sterols in lipid bilayers. The sterol chemical substituents and the sterol/phospholipid membrane physical properties were encoded by defining binary variables for the presence/absence of those chemical substituents in the polycyclic ring system and physical parameters obtained from phospholipid mixtures containing those sterols. Utilizing Principal Coordinates Analysis, the steroid population was grouped into five well-defined clusters according to their chemical structures. An examination of the membrane activity of each sterol structural cluster revealed that a hydroxyl group at C3 and an 8?10 carbon isoalkyl side-chain at C17 are mainly present in membrane active sterols having rigidifying, molecular ordering/condensing effects and/or a raft promoting ability. In contrast, sterol chemical structures containing a keto group at C3, a C4?C5-double bond, and polar groups or a short alkyl side-chain at C17 (3 to 7 atoms) are mostly found in sterols having opposite effects. Using combined multivariate approaches, it was concluded that the most important structural determinants influencing the physical properties of sterolcontaining mixtures were the presence of an 8?10 carbon C17 isoalkyl side-chain, followed by a hydroxyl group at C3 and a C5?C6 double bond. Finally, a simple Logistic Regression model predicting the dependence of membrane activity on sterol chemical structure is proposed.  
dc.format
application/pdf  
dc.language.iso
eng  
dc.publisher
Elsevier  
dc.rights
info:eu-repo/semantics/openAccess  
dc.rights.uri
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/  
dc.subject
Sterol Structure  
dc.subject
Membrane Properties  
dc.subject
Multivariate Analysis  
dc.subject.classification
Biofísica  
dc.subject.classification
Ciencias Biológicas  
dc.subject.classification
CIENCIAS NATURALES Y EXACTAS  
dc.title
Predicting the effect of steroids on membrane biophysical properties based on the molecular structure  
dc.type
info:eu-repo/semantics/article  
dc.type
info:ar-repo/semantics/artículo  
dc.type
info:eu-repo/semantics/publishedVersion  
dc.date.updated
2016-05-10T14:30:11Z  
dc.journal.volume
1818  
dc.journal.number
3  
dc.journal.pagination
896-906  
dc.journal.pais
Países Bajos  
dc.journal.ciudad
Amsterdam  
dc.description.fil
Fil: Wenz, Jorge Javier. Consejo Nacional de Investigaciones Cientificas y Técnicas. Centro Científico Tecnológico Bahia Blanca. Instituto de Investigaciones Bioquímicas Bahia Blanca (i); Argentina  
dc.journal.title
Biochimica Et Biophysica Acta - Biomembranes  
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1016/j.bbamem.2011.12.021  
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.bbamem.2011.12.021  
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0005273611004585