Integrative Approach for Computationally Inferring Interactions between the Alpha and Beta Subunits of the Calcium-Activated Potassium Channel (BK): a Docking Study

Autores
González, Janneth; Gálvez, Angela; Morales, Ludis; Barreto, George E.; Capani, Francisco; Sierra, Omar; Torres, Yolima
Año de publicación
2013
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Three-dimensional models of the alpha- and beta-1 subunits of the calcium-activated potassium channel (BK) were predicted by threading modeling. A recursive approach comprising of sequence alignment and model building based on three templates was used to build these models, with the refinement of non-conserved regions carried out using threading techniques. The complex formed by the subunits was studied by means of docking techniques, using 3D models of the two subunits, and an approach based on rigid-body structures. Structural effects of the complex were analyzed with respect to hydrogen-bond interactions and binding-energy calculations. Potential interaction sites of the complex were determined by referencing a study of the difference accessible surface area (DASA) of the protein subunits in the complex
Fil: González, Janneth. Pontificia Universidad Javeriana; Colombia
Fil: Gálvez, Angela. Pontificia Universidad Javeriana; Colombia
Fil: Morales, Ludis. Pontificia Universidad Javeriana; Colombia
Fil: Barreto, George E.. Pontificia Universidad Javeriana; Colombia
Fil: Capani, Francisco. Pontificia Universidad Javeriana; Colombia. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Houssay. Instituto de Investigaciones Cardiológicas (i); Argentina
Fil: Sierra, Omar. Pontificia Universidad Javeriana; Colombia
Fil: Torres, Yolima. Pontificia Universidad Javeriana; Colombia
Materia
potassium channel
docking
moelcular interactions
binding energy
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/7882
Acceder
id CONICETDig_69c2eb24714d110be2b9bac770add98b
oai_identifier_str oai:ri.conicet.gov.ar:11336/7882
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Integrative Approach for Computationally Inferring Interactions between the Alpha and Beta Subunits of the Calcium-Activated Potassium Channel (BK): a Docking StudyGonzález, JannethGálvez, AngelaMorales, LudisBarreto, George E.Capani, FranciscoSierra, OmarTorres, Yolimapotassium channeldockingmoelcular interactionsbinding energyhttps://purl.org/becyt/ford/3.1https://purl.org/becyt/ford/3Three-dimensional models of the alpha- and beta-1 subunits of the calcium-activated potassium channel (BK) were predicted by threading modeling. A recursive approach comprising of sequence alignment and model building based on three templates was used to build these models, with the refinement of non-conserved regions carried out using threading techniques. The complex formed by the subunits was studied by means of docking techniques, using 3D models of the two subunits, and an approach based on rigid-body structures. Structural effects of the complex were analyzed with respect to hydrogen-bond interactions and binding-energy calculations. Potential interaction sites of the complex were determined by referencing a study of the difference accessible surface area (DASA) of the protein subunits in the complexFil: González, Janneth. Pontificia Universidad Javeriana; ColombiaFil: Gálvez, Angela. Pontificia Universidad Javeriana; ColombiaFil: Morales, Ludis. Pontificia Universidad Javeriana; ColombiaFil: Barreto, George E.. Pontificia Universidad Javeriana; ColombiaFil: Capani, Francisco. Pontificia Universidad Javeriana; Colombia. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Houssay. Instituto de Investigaciones Cardiológicas (i); ArgentinaFil: Sierra, Omar. Pontificia Universidad Javeriana; ColombiaFil: Torres, Yolima. Pontificia Universidad Javeriana; ColombiaLibertas Academica2013-07info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/7882González, Janneth; Gálvez, Angela; Morales, Ludis; Barreto, George E.; Capani, Francisco; et al.; Integrative Approach for Computationally Inferring Interactions between the Alpha and Beta Subunits of the Calcium-Activated Potassium Channel (BK): a Docking Study; Libertas Academica; Bioinformatics and Biology Insights; 2013; 7; 7-2013; 73-821177-9322enginfo:eu-repo/semantics/altIdentifier/url/http://www.la-press.com/integrative-approach-for-computationally-inferring-interactions-betwee-article-a3565info:eu-repo/semantics/altIdentifier/doi/10.4137/BBI.S10077info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T09:52:51Zoai:ri.conicet.gov.ar:11336/7882instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-09-03 09:52:51.592CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Integrative Approach for Computationally Inferring Interactions between the Alpha and Beta Subunits of the Calcium-Activated Potassium Channel (BK): a Docking Study
title Integrative Approach for Computationally Inferring Interactions between the Alpha and Beta Subunits of the Calcium-Activated Potassium Channel (BK): a Docking Study
spellingShingle Integrative Approach for Computationally Inferring Interactions between the Alpha and Beta Subunits of the Calcium-Activated Potassium Channel (BK): a Docking Study
González, Janneth
potassium channel
docking
moelcular interactions
binding energy
title_short Integrative Approach for Computationally Inferring Interactions between the Alpha and Beta Subunits of the Calcium-Activated Potassium Channel (BK): a Docking Study
title_full Integrative Approach for Computationally Inferring Interactions between the Alpha and Beta Subunits of the Calcium-Activated Potassium Channel (BK): a Docking Study
title_fullStr Integrative Approach for Computationally Inferring Interactions between the Alpha and Beta Subunits of the Calcium-Activated Potassium Channel (BK): a Docking Study
title_full_unstemmed Integrative Approach for Computationally Inferring Interactions between the Alpha and Beta Subunits of the Calcium-Activated Potassium Channel (BK): a Docking Study
title_sort Integrative Approach for Computationally Inferring Interactions between the Alpha and Beta Subunits of the Calcium-Activated Potassium Channel (BK): a Docking Study
dc.creator.none.fl_str_mv González, Janneth
Gálvez, Angela
Morales, Ludis
Barreto, George E.
Capani, Francisco
Sierra, Omar
Torres, Yolima
author González, Janneth
author_facet González, Janneth
Gálvez, Angela
Morales, Ludis
Barreto, George E.
Capani, Francisco
Sierra, Omar
Torres, Yolima
author_role author
author2 Gálvez, Angela
Morales, Ludis
Barreto, George E.
Capani, Francisco
Sierra, Omar
Torres, Yolima
author2_role author
author
author
author
author
author
dc.subject.none.fl_str_mv potassium channel
docking
moelcular interactions
binding energy
topic potassium channel
docking
moelcular interactions
binding energy
purl_subject.fl_str_mv https://purl.org/becyt/ford/3.1
https://purl.org/becyt/ford/3
dc.description.none.fl_txt_mv Three-dimensional models of the alpha- and beta-1 subunits of the calcium-activated potassium channel (BK) were predicted by threading modeling. A recursive approach comprising of sequence alignment and model building based on three templates was used to build these models, with the refinement of non-conserved regions carried out using threading techniques. The complex formed by the subunits was studied by means of docking techniques, using 3D models of the two subunits, and an approach based on rigid-body structures. Structural effects of the complex were analyzed with respect to hydrogen-bond interactions and binding-energy calculations. Potential interaction sites of the complex were determined by referencing a study of the difference accessible surface area (DASA) of the protein subunits in the complex
Fil: González, Janneth. Pontificia Universidad Javeriana; Colombia
Fil: Gálvez, Angela. Pontificia Universidad Javeriana; Colombia
Fil: Morales, Ludis. Pontificia Universidad Javeriana; Colombia
Fil: Barreto, George E.. Pontificia Universidad Javeriana; Colombia
Fil: Capani, Francisco. Pontificia Universidad Javeriana; Colombia. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Houssay. Instituto de Investigaciones Cardiológicas (i); Argentina
Fil: Sierra, Omar. Pontificia Universidad Javeriana; Colombia
Fil: Torres, Yolima. Pontificia Universidad Javeriana; Colombia
description Three-dimensional models of the alpha- and beta-1 subunits of the calcium-activated potassium channel (BK) were predicted by threading modeling. A recursive approach comprising of sequence alignment and model building based on three templates was used to build these models, with the refinement of non-conserved regions carried out using threading techniques. The complex formed by the subunits was studied by means of docking techniques, using 3D models of the two subunits, and an approach based on rigid-body structures. Structural effects of the complex were analyzed with respect to hydrogen-bond interactions and binding-energy calculations. Potential interaction sites of the complex were determined by referencing a study of the difference accessible surface area (DASA) of the protein subunits in the complex
publishDate 2013
dc.date.none.fl_str_mv 2013-07
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/7882
González, Janneth; Gálvez, Angela; Morales, Ludis; Barreto, George E.; Capani, Francisco; et al.; Integrative Approach for Computationally Inferring Interactions between the Alpha and Beta Subunits of the Calcium-Activated Potassium Channel (BK): a Docking Study; Libertas Academica; Bioinformatics and Biology Insights; 2013; 7; 7-2013; 73-82
1177-9322
url http://hdl.handle.net/11336/7882
identifier_str_mv González, Janneth; Gálvez, Angela; Morales, Ludis; Barreto, George E.; Capani, Francisco; et al.; Integrative Approach for Computationally Inferring Interactions between the Alpha and Beta Subunits of the Calcium-Activated Potassium Channel (BK): a Docking Study; Libertas Academica; Bioinformatics and Biology Insights; 2013; 7; 7-2013; 73-82
1177-9322
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/http://www.la-press.com/integrative-approach-for-computationally-inferring-interactions-betwee-article-a3565
info:eu-repo/semantics/altIdentifier/doi/10.4137/BBI.S10077
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv Libertas Academica
publisher.none.fl_str_mv Libertas Academica
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
_version_ 1842269187131572224
score 13.13397

Publicaciones similares