. 2023 Dec 11;34(12):2345–2357. doi: 10.1021/acs.bioconjchem.3c00455

Table 1. Apparent Affinity Values (K_d, μM) for the Molecular Recognition of Tyr-Containing PPs by Pseudopeptidic Cages, Obtained by Fluorescence Emission Titrations (λ_exc = 276 nm, 50 mM Tris-HCl Buffer, and 293 K)^a.

entry	PP	cage	K_d (μM)	K_SV (M^–1)	T_1ρ filter reduction (%)	T₂ filter reduction (%)	D filter change (%)
1	polyE₄Y	CyOrn	920 ± 24^b
2	polyE₄Y	CyLys	450 ± 20^b		98.1	100	80.3
3	polyE₄Y	CyHis	61 ± 6		8.6	17.6	22.3
4	polyE₄Y	CyAsp	>1225^c	816 ± 16	–10.6	–18.9	17.3
5	polyE₄Y	CyGlu	1738 ± 84	628 ± 17
6	polyK₄Y	CyOrn	no fit^d	no fit^d
7	polyK₄Y	CyLys	>825^c	1212 ± 25
8	polyK₄Y	CyHis	93 ± 2		–8.3	–13.8	11.6
9	polyK₄Y	CyAsp	398 ± 10	4048 ± 60	23.6	32.0	62.4
10	polyK₄Y	CyGlu	400 ± 10
11	polyE₆K₃Y	CyOrn	114 ± 2
12	polyE₆K₃Y	CyLys	27.5 ± 0.6		31.9	41.1	34.6
13	polyE₆K₃Y	CyHis	194 ± 3		15.0	15.4	51.2
14	polyE₆K₃Y	CyAsp	>462^c	2168 ± 36	0.3	5.3	8.2
15	polyE₆K₃Y	CyGlu	>526^c	1902 ± 56

In the case of dynamic quenching, the systems were analyzed by Stern–Volmer plots (K_SV, M^–1). Quantitative analysis of the relaxation/diffusion-edited NMR experiments for the combination of the three cages (CyHis, CyLys, and CyAsp) with some of the three types of PPs (polyE₄Y, polyK₄Y, and polyE₆K₃Y), % values calculated for the aromatic proton resonances of the pseudopeptidic cages.

From ref (24).

Estimated lower limit assuming K_d > 1/K_SV.

The fluorescence titration experiments did not reliably fit any reasonable simple model.

Table 1. Apparent Affinity Values (Kd, μM) for the Molecular Recognition of Tyr-Containing PPs by Pseudopeptidic Cages, Obtained by Fluorescence Emission Titrations (λexc = 276 nm, 50 mM Tris-HCl Buffer, and 293 K)a.

Table 1. Apparent Affinity Values (K_d, μM) for the Molecular Recognition of Tyr-Containing PPs by Pseudopeptidic Cages, Obtained by Fluorescence Emission Titrations (λ_exc = 276 nm, 50 mM Tris-HCl Buffer, and 293 K)^a.