• 대한의용생체공학회:의공학회지
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• 제43권2호
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• pp.71-80
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• 2022

The interaction between dual-ligand decorated particle-based delivery system and target cell under shear flow is predicted using probability model developed. We assumed the two kinds of ligand are decorated on the surface of the particle with 10% length difference. Fixed with other biophysical parameters, a study on the particle-cell interaction for the different non-specific interaction parameter is performed. To induce the firm adhesion, short ligand-receptor should be engaged. Also, it is shown that the rational design of ligand-receptor interaction, including receptor number, specific interaction parameter, kinds of ligand-receptor, etc., should be considered.

• 통합자연과학논문집
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• 제5권1호
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• pp.22-26
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• 2012

Chemokine receptor antagonists have potential applications in field of drug discovery. Although the chemokine receptors are G-protein-coupled receptors, their cognate ligands are small proteins (8 to 12 kDa), and so inhibiting the ligand/receptor interaction has been challenging. In particular, CCR2 and CCR5 and their ligands have been implicated in the pathophysiology of a number of diseases, including rheumatoid arthritis and multiple sclerosis. Based on their roles in disease, they have been attractive targets for the pharmaceutical industry, targeting both CCR2 and CCR5 could be a useful strategy. Because of the importance of these receptors, providing information regarding the binding site is of prime importance. Herein, we report the comparison of CCR2 of CCR5 binding sites both sequentially as well as structurally. We also urged the importance of crucial residues in the binding site, to facilitate the development of dual antagonists targeting both the receptors. These results could also be useful for the design of novel and potent dual CCR2 and CCR5 antagonists using structure based drug design.