Extension into the entrance channel of HIV-1 reverse transcriptase—Crystallography and enhanced solubility

Autores
Bollini, Mariela; Frey, Kathleen M.; Cisneros, José A.; Spasov, Krasimir A.; Das, Kalyan; Bauman, Joseph D.; Arnold, Eddy; Anderson, Karen S.; Jorgensen, William L.
Año de publicación
2013
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Non-nucleoside inhibitors of HIV-1 reverse transcriptase (HIV-RT) are reported that feature extension into the entrance channel near Glu138. Complexes of the parent anilinylpyrimidine 1 and the morpholinoethoxy analog 2j with HIV-RT have received crystallographic characterization confirming the designs. Measurement of aqueous solubilities of 2j, 2k, the parent triazene 2a, and other NNRTIs demonstrate profound benefits for addition of the morpholinyl substituent.
Fil: Bollini, Mariela. University of Yale; Estados Unidos. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Frey, Kathleen M.. University of Yale. School of Medicine; Estados Unidos
Fil: Cisneros, José A.. University of Yale; Estados Unidos
Fil: Spasov, Krasimir A.. University of Yale. School of Medicine; Estados Unidos
Fil: Das, Kalyan. Rutgers University; Estados Unidos
Fil: Bauman, Joseph D.. Rutgers University; Estados Unidos
Fil: Arnold, Eddy. Rutgers University; Estados Unidos
Fil: Anderson, Karen S.. University of Yale. School of Medicine; Estados Unidos
Fil: Jorgensen, William L.. University of Yale; Estados Unidos
Materia
Anti-HIV agent
NNRTI
Crystal structures
Drug solubility
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/16594
Acceder
id CONICETDig_12a5ab65f930149232aaaa4b371b1745
oai_identifier_str oai:ri.conicet.gov.ar:11336/16594
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Extension into the entrance channel of HIV-1 reverse transcriptase—Crystallography and enhanced solubilityBollini, MarielaFrey, Kathleen M.Cisneros, José A.Spasov, Krasimir A.Das, KalyanBauman, Joseph D.Arnold, EddyAnderson, Karen S.Jorgensen, William L.Anti-HIV agentNNRTICrystal structuresDrug solubilityhttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1Non-nucleoside inhibitors of HIV-1 reverse transcriptase (HIV-RT) are reported that feature extension into the entrance channel near Glu138. Complexes of the parent anilinylpyrimidine 1 and the morpholinoethoxy analog 2j with HIV-RT have received crystallographic characterization confirming the designs. Measurement of aqueous solubilities of 2j, 2k, the parent triazene 2a, and other NNRTIs demonstrate profound benefits for addition of the morpholinyl substituent.Fil: Bollini, Mariela. University of Yale; Estados Unidos. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Frey, Kathleen M.. University of Yale. School of Medicine; Estados UnidosFil: Cisneros, José A.. University of Yale; Estados UnidosFil: Spasov, Krasimir A.. University of Yale. School of Medicine; Estados UnidosFil: Das, Kalyan. Rutgers University; Estados UnidosFil: Bauman, Joseph D.. Rutgers University; Estados UnidosFil: Arnold, Eddy. Rutgers University; Estados UnidosFil: Anderson, Karen S.. University of Yale. School of Medicine; Estados UnidosFil: Jorgensen, William L.. University of Yale; Estados UnidosElsevier2013-08info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/16594Bollini, Mariela; Frey, Kathleen M.; Cisneros, José A.; Spasov, Krasimir A.; Das, Kalyan; et al.; Extension into the entrance channel of HIV-1 reverse transcriptase—Crystallography and enhanced solubility; Elsevier; Bioorganic & Medicinal Chemistry Letters; 23; 18; 8-2013; 5209-52120960-894Xenginfo:eu-repo/semantics/altIdentifier/doi/10.1016/j.bmcl.2013.06.093info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0960894X13008263info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-nd/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-17T10:48:33Zoai:ri.conicet.gov.ar:11336/16594instacron: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:34982025-09-17 10:48:33.489CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Extension into the entrance channel of HIV-1 reverse transcriptase—Crystallography and enhanced solubility
title Extension into the entrance channel of HIV-1 reverse transcriptase—Crystallography and enhanced solubility
spellingShingle Extension into the entrance channel of HIV-1 reverse transcriptase—Crystallography and enhanced solubility
Bollini, Mariela
Anti-HIV agent
NNRTI
Crystal structures
Drug solubility
title_short Extension into the entrance channel of HIV-1 reverse transcriptase—Crystallography and enhanced solubility
title_full Extension into the entrance channel of HIV-1 reverse transcriptase—Crystallography and enhanced solubility
title_fullStr Extension into the entrance channel of HIV-1 reverse transcriptase—Crystallography and enhanced solubility
title_full_unstemmed Extension into the entrance channel of HIV-1 reverse transcriptase—Crystallography and enhanced solubility
title_sort Extension into the entrance channel of HIV-1 reverse transcriptase—Crystallography and enhanced solubility
dc.creator.none.fl_str_mv Bollini, Mariela
Frey, Kathleen M.
Cisneros, José A.
Spasov, Krasimir A.
Das, Kalyan
Bauman, Joseph D.
Arnold, Eddy
Anderson, Karen S.
Jorgensen, William L.
author Bollini, Mariela
author_facet Bollini, Mariela
Frey, Kathleen M.
Cisneros, José A.
Spasov, Krasimir A.
Das, Kalyan
Bauman, Joseph D.
Arnold, Eddy
Anderson, Karen S.
Jorgensen, William L.
author_role author
author2 Frey, Kathleen M.
Cisneros, José A.
Spasov, Krasimir A.
Das, Kalyan
Bauman, Joseph D.
Arnold, Eddy
Anderson, Karen S.
Jorgensen, William L.
author2_role author
author
author
author
author
author
author
author
dc.subject.none.fl_str_mv Anti-HIV agent
NNRTI
Crystal structures
Drug solubility
topic Anti-HIV agent
NNRTI
Crystal structures
Drug solubility
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv Non-nucleoside inhibitors of HIV-1 reverse transcriptase (HIV-RT) are reported that feature extension into the entrance channel near Glu138. Complexes of the parent anilinylpyrimidine 1 and the morpholinoethoxy analog 2j with HIV-RT have received crystallographic characterization confirming the designs. Measurement of aqueous solubilities of 2j, 2k, the parent triazene 2a, and other NNRTIs demonstrate profound benefits for addition of the morpholinyl substituent.
Fil: Bollini, Mariela. University of Yale; Estados Unidos. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Frey, Kathleen M.. University of Yale. School of Medicine; Estados Unidos
Fil: Cisneros, José A.. University of Yale; Estados Unidos
Fil: Spasov, Krasimir A.. University of Yale. School of Medicine; Estados Unidos
Fil: Das, Kalyan. Rutgers University; Estados Unidos
Fil: Bauman, Joseph D.. Rutgers University; Estados Unidos
Fil: Arnold, Eddy. Rutgers University; Estados Unidos
Fil: Anderson, Karen S.. University of Yale. School of Medicine; Estados Unidos
Fil: Jorgensen, William L.. University of Yale; Estados Unidos
description Non-nucleoside inhibitors of HIV-1 reverse transcriptase (HIV-RT) are reported that feature extension into the entrance channel near Glu138. Complexes of the parent anilinylpyrimidine 1 and the morpholinoethoxy analog 2j with HIV-RT have received crystallographic characterization confirming the designs. Measurement of aqueous solubilities of 2j, 2k, the parent triazene 2a, and other NNRTIs demonstrate profound benefits for addition of the morpholinyl substituent.
publishDate 2013
dc.date.none.fl_str_mv 2013-08
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/11336/16594
Bollini, Mariela; Frey, Kathleen M.; Cisneros, José A.; Spasov, Krasimir A.; Das, Kalyan; et al.; Extension into the entrance channel of HIV-1 reverse transcriptase—Crystallography and enhanced solubility; Elsevier; Bioorganic & Medicinal Chemistry Letters; 23; 18; 8-2013; 5209-5212
0960-894X
url http://hdl.handle.net/11336/16594
identifier_str_mv Bollini, Mariela; Frey, Kathleen M.; Cisneros, José A.; Spasov, Krasimir A.; Das, Kalyan; et al.; Extension into the entrance channel of HIV-1 reverse transcriptase—Crystallography and enhanced solubility; Elsevier; Bioorganic & Medicinal Chemistry Letters; 23; 18; 8-2013; 5209-5212
0960-894X
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1016/j.bmcl.2013.06.093
info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0960894X13008263
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
application/pdf
dc.publisher.none.fl_str_mv Elsevier
publisher.none.fl_str_mv Elsevier
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_ 1843606085777227776
score 13.001348

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