Marine derivatives prevent <italic toggle="yes">w</italic>MUS81 <italic toggle="yes">in silico</italic> studies

The winged-helix domain of the methyl methanesulfonate and ultraviolet-sensitive 81 (wMUS81) is a potential cancer drug target. In this context, marine fungi compounds were indicated to be able to prevent wMUS81 structure via atomistic simulations. Eight compounds such as D197 (Tryptoquivaline U), D...

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Detalhes bibliográficos

Principais autores:	Son Tung Ngo, Khanh B. Vu, Minh Quan Pham, Nguyen Minh Tam, Phuong-Thao Tran
Formato:	Artigo
Idioma:	Inglês
Publicado em:	The Royal Society 2021-09-01
coleção:	Royal Society Open Science
Assuntos:	marine compounds cancer virtual screening molecular dynamics replica exchange molecular dynamics free energy
Acesso em linha:	https://royalsocietypublishing.org/doi/10.1098/rsos.210974
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