International Journal of Molecular Sciences, Volume 24, Issue 22
2023 November-2 - 530 articles
Cover Story: Predictions were made about how EPI-X4 interacts with CXCR4. Two key requirements emerged. First, the spatial conformation of EPI-X4 must be effectively matched to the CXCR4 receptor protein. Second, the functional groups on the surface of the inhibitor structure must complement the corresponding features of CXCR4 to cause an attraction between the two entities. These prediction results were based on a careful analysis of the conformers performed in a gaseous environment. Ultimately, this rigorous investigation led to a suitable EPI-X4 structure that fulfills the spatial and functional requirements for interaction with CXCR4, potentially opening new avenues for therapeutic development. View this paper - Issues are regarded as officially published after their release is announced to the table of contents alert mailing list .
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