Computational and Mathematical Methods in Medicine

Research Article

Evaluation of the Feasibility of Screening Tau Radiotracers Using an Amyloid Biomathematical Screening Methodology

Table 1

In silico MLogP and V_x and in vitro K_D of 22 tau-related PET radiotracers. K_D values employed for simulations are given in bold (measured using brain homogenates) and italicized (measured using synthetic tau).


Radiotracers	MLogP	V_x	K_D	References for K_D

[¹⁸F]THK523	3.19	2.11	1.67^α	[17]
			1.99^α	[18]
			86.5	[19]
[¹⁸F]THK5105	3.08	2.59	1.45^α	[19]
[¹⁸F]THK5105	3.08	2.59	2.63	[19]
[¹⁸F]THK5116	2.62	2.31	106^&	[12]
[¹⁸F]THK5117	2.85	2.45	2.65^$	[20]
[¹⁸F]THK5125	3.08	2.59	10.2	[12]
[¹⁸F]THK5129	2.48	2.55	3.14	[12]
[¹⁸F]THK5151	2.25	2.41	7.07	[12]
[¹⁸F]THK5287	1.94	2.55	2.60	[12]
[¹⁸F]THK5307	1.71	2.41	5.60	[12]
[¹⁸F]THK5317	2.85	2.45	9.40^&	[21]
[¹⁸F]THK5351	2.25	2.41	2.90	[15]
[¹⁸F]THK5451	2.25	2.41	28.0	[12]
[¹⁸F]flortaucipir	1.95	1.86	14.6^#	[22]
[¹⁸F]T808	3.64	2.23	22.0^#	[11]
[¹¹C]PBB3	2.34	2.31	2.50^α	[10]
[¹¹C]PBB3	2.34	2.31	6.30	[23]
[¹⁸F]FDDNP	2.89	2.31	36.7^α	[18]
[¹⁸F]FPPDB	2.87	3.15	44.8	[24]
[¹¹C]NML	1.98	2.51	0.700^α	[25]
[¹⁸F]Lansoprazol	1.75	2.37	3.30^α	[25]
[¹⁸F]Lansoprazol	1.75	2.37	>3998^δ	[11]
[¹¹C]Astemizole	4.63	3.56	13.4	[26]
			1.86^α	[26]
			>3998^δ	[11]
[¹⁸F]MK6240	2.49	1.96	0.260^β	[27]
[¹⁸F]JNJ64349311 ([¹⁸F]JNJ311)	2.07	1.83	7.90^δ	[28]

Units: MLogP (unitless), V_x (cm³/mol/100), K_D (nM). ^$Averaged K_D values (2.2, 3.1) for tau in AD brain homogenates of temporal and hippocampus. ^βAveraged K_D values 0.14, 0.30, 0.25, 0.24, and 0.38 for tau in AD brain homogenates of frontal and entorhinal cortex of 5 AD. ^αK_D values are measured using synthetic tau (K18Δ280K) ^&K_i values measured using AD brain homogenates with THK5105 as competitor ^δK_i values measured using AD brain homogenates with T808 as competitor. ^#K_D values measured using AD brain via autoradiography.