Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites

Cyclic peptides are of particular interest due to their pharmacological properties, but their design for binding to a target protein is challenging. Here, the authors present a computational “anchor extension” methodology for de novo design of cyclic peptides that bind to the target protein with hig...

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Autores principales:	Parisa Hosseinzadeh, Paris R. Watson, Timothy W. Craven, Xinting Li, Stephen Rettie, Fátima Pardo-Avila, Asim K. Bera, Vikram Khipple Mulligan, Peilong Lu, Alexander S. Ford, Brian D. Weitzner, Lance J. Stewart, Adam P. Moyer, Maddalena Di Piazza, Joshua G. Whalen, Per Jr. Greisen, David W. Christianson, David Baker
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Science Q
Acceso en línea:	https://doaj.org/article/603d7c9cce674f14a81d38644247320d
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spelling	oai:doaj.org-article:603d7c9cce674f14a81d38644247320d2021-12-02T15:02:50ZAnchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites10.1038/s41467-021-23609-82041-1723https://doaj.org/article/603d7c9cce674f14a81d38644247320d2021-06-01T00:00:00Zhttps://doi.org/10.1038/s41467-021-23609-8https://doaj.org/toc/2041-1723Cyclic peptides are of particular interest due to their pharmacological properties, but their design for binding to a target protein is challenging. Here, the authors present a computational “anchor extension” methodology for de novo design of cyclic peptides that bind to the target protein with high affinity, and validate the approach by developing cyclic peptides that inhibit histone deacetylases 2 and 6.Parisa HosseinzadehParis R. WatsonTimothy W. CravenXinting LiStephen RettieFátima Pardo-AvilaAsim K. BeraVikram Khipple MulliganPeilong LuAlexander S. FordBrian D. WeitznerLance J. StewartAdam P. MoyerMaddalena Di PiazzaJoshua G. WhalenPer Jr. GreisenDavid W. ChristiansonDavid BakerNature PortfolioarticleScienceQENNature Communications, Vol 12, Iss 1, Pp 1-12 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Science Q
spellingShingle	Science Q Parisa Hosseinzadeh Paris R. Watson Timothy W. Craven Xinting Li Stephen Rettie Fátima Pardo-Avila Asim K. Bera Vikram Khipple Mulligan Peilong Lu Alexander S. Ford Brian D. Weitzner Lance J. Stewart Adam P. Moyer Maddalena Di Piazza Joshua G. Whalen Per Jr. Greisen David W. Christianson David Baker Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites
description	Cyclic peptides are of particular interest due to their pharmacological properties, but their design for binding to a target protein is challenging. Here, the authors present a computational “anchor extension” methodology for de novo design of cyclic peptides that bind to the target protein with high affinity, and validate the approach by developing cyclic peptides that inhibit histone deacetylases 2 and 6.
format	article
author	Parisa Hosseinzadeh Paris R. Watson Timothy W. Craven Xinting Li Stephen Rettie Fátima Pardo-Avila Asim K. Bera Vikram Khipple Mulligan Peilong Lu Alexander S. Ford Brian D. Weitzner Lance J. Stewart Adam P. Moyer Maddalena Di Piazza Joshua G. Whalen Per Jr. Greisen David W. Christianson David Baker
author_facet	Parisa Hosseinzadeh Paris R. Watson Timothy W. Craven Xinting Li Stephen Rettie Fátima Pardo-Avila Asim K. Bera Vikram Khipple Mulligan Peilong Lu Alexander S. Ford Brian D. Weitzner Lance J. Stewart Adam P. Moyer Maddalena Di Piazza Joshua G. Whalen Per Jr. Greisen David W. Christianson David Baker
author_sort	Parisa Hosseinzadeh
title	Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites
title_short	Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites
title_full	Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites
title_fullStr	Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites
title_full_unstemmed	Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites
title_sort	anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/603d7c9cce674f14a81d38644247320d
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Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites

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