HIGHLIGHTS
- who: Angel J. Ruiz-Moreno et al. from the Departamento de Farmacología, Facultad de Medicina, Universidad Nacional Autónoma de Mexico (UNAM) have published the Article: In Silico Design and Selection of New Tetrahydroisoquinoline-Based CD44 Antagonist Candidates, in the Journal: Molecules 2021, 1877 of /2021/
- what: The authors focused on the compounds showing docking poses matching the crystallized THQ atoms with RMSD and amp;lt; 2 Å . The experiments demonstrate that the compounds Can125 and Can159 bind with high theoretical affinity to the murine and human structures of CD44HAbd and stabilize the conformational dynamics . . .
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