Reduced efficacy of a Src kinase inhibitor in crowded protein solution

The intracellular compartment is a crowded environment. Here, the authors use molecular dynamics (MD) simulations to assess inhibitor binding to c-Src kinase and show how ligand binding pathways differ in crowded and dilute protein solutions, highlighting the role of c-Src Tyr82 sidechain.

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Autores principales:	Kento Kasahara, Suyong Re, Grzegorz Nawrocki, Hiraku Oshima, Chiemi Mishima-Tsumagari, Yukako Miyata-Yabuki, Mutsuko Kukimoto-Niino, Isseki Yu, Mikako Shirouzu, Michael Feig, Yuji Sugita
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Science Q
Acceso en línea:	https://doaj.org/article/8d675a4370724533a2e4806e520bcb66
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spelling	oai:doaj.org-article:8d675a4370724533a2e4806e520bcb662021-12-02T14:34:05ZReduced efficacy of a Src kinase inhibitor in crowded protein solution10.1038/s41467-021-24349-52041-1723https://doaj.org/article/8d675a4370724533a2e4806e520bcb662021-07-01T00:00:00Zhttps://doi.org/10.1038/s41467-021-24349-5https://doaj.org/toc/2041-1723The intracellular compartment is a crowded environment. Here, the authors use molecular dynamics (MD) simulations to assess inhibitor binding to c-Src kinase and show how ligand binding pathways differ in crowded and dilute protein solutions, highlighting the role of c-Src Tyr82 sidechain.Kento KasaharaSuyong ReGrzegorz NawrockiHiraku OshimaChiemi Mishima-TsumagariYukako Miyata-YabukiMutsuko Kukimoto-NiinoIsseki YuMikako ShirouzuMichael FeigYuji SugitaNature PortfolioarticleScienceQENNature Communications, Vol 12, Iss 1, Pp 1-8 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Science Q
spellingShingle	Science Q Kento Kasahara Suyong Re Grzegorz Nawrocki Hiraku Oshima Chiemi Mishima-Tsumagari Yukako Miyata-Yabuki Mutsuko Kukimoto-Niino Isseki Yu Mikako Shirouzu Michael Feig Yuji Sugita Reduced efficacy of a Src kinase inhibitor in crowded protein solution
description	The intracellular compartment is a crowded environment. Here, the authors use molecular dynamics (MD) simulations to assess inhibitor binding to c-Src kinase and show how ligand binding pathways differ in crowded and dilute protein solutions, highlighting the role of c-Src Tyr82 sidechain.
format	article
author	Kento Kasahara Suyong Re Grzegorz Nawrocki Hiraku Oshima Chiemi Mishima-Tsumagari Yukako Miyata-Yabuki Mutsuko Kukimoto-Niino Isseki Yu Mikako Shirouzu Michael Feig Yuji Sugita
author_facet	Kento Kasahara Suyong Re Grzegorz Nawrocki Hiraku Oshima Chiemi Mishima-Tsumagari Yukako Miyata-Yabuki Mutsuko Kukimoto-Niino Isseki Yu Mikako Shirouzu Michael Feig Yuji Sugita
author_sort	Kento Kasahara
title	Reduced efficacy of a Src kinase inhibitor in crowded protein solution
title_short	Reduced efficacy of a Src kinase inhibitor in crowded protein solution
title_full	Reduced efficacy of a Src kinase inhibitor in crowded protein solution
title_fullStr	Reduced efficacy of a Src kinase inhibitor in crowded protein solution
title_full_unstemmed	Reduced efficacy of a Src kinase inhibitor in crowded protein solution
title_sort	reduced efficacy of a src kinase inhibitor in crowded protein solution
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/8d675a4370724533a2e4806e520bcb66
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Reduced efficacy of a Src kinase inhibitor in crowded protein solution

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