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...

Descripción completa

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

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6017214/
https://www.ncbi.nlm.nih.gov/pubmed/29300367
http://dx.doi.org/10.3390/molecules23010102

Ejemplares similares