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Pathway and mechanism of drug binding to chemokine receptors revealed by accelerated molecular simulations

BACKGROUND: Chemokine GPCRs play key roles in biology and medicine. Particularly, CXCR4 promotes cancer metastasis and facilitate HIV entry into host cells. Plerixafor (PLX) is a CXCR4 drug, but the pathway and binding site of PLX in CXCR4 remain unknown. RESULTS & METHODOLOGY: We have performed...

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Publicat a:Future Med Chem
Autors principals: Pawnikar, Shristi, Miao, Yinglong
Format: Artigo
Idioma:Inglês
Publicat: Newlands Press Ltd 2020
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Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC7367101/
https://ncbi.nlm.nih.gov/pubmed/32515227
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.4155/fmc-2020-0044
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