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Rational Design of a New Class of Toll-Like Receptor 4 (TLR4) Tryptamine Related Agonists by Means of the Structure- and Ligand-Based Virtual Screening for Vaccine Adjuvant Discovery

In order to identify novel lead structures for human toll-like receptor 4 (hTLR4) modulation virtual high throughput screening by a peta-flops-scale supercomputer has been performed. Based on the in silico studies, a series of 12 compounds related to tryptamine was rationally designed to retain suit...

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Detalles Bibliográficos
Autores principales:	Honegr, Jan, Dolezal, Rafael, Malinak, David, Benkova, Marketa, Soukup, Ondrej, de Almeida, Joyce S. F. D., Franca, Tanos C. C., Kuca, Kamil, Prymula, Roman
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2018
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6017214/ https://www.ncbi.nlm.nih.gov/pubmed/29300367 http://dx.doi.org/10.3390/molecules23010102

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