Table 1.

Molinspiration bioactivity scores for the scaffold (general structure) of ACE2 inhibitors from Dales and Torres, ACEI, carnosine, and salicyl-carnosine.

Drug	1 *	2	3	4	5	6	Total Difference **
General scaffold	0.46	0.47	−0.15	−1.25	0.52	0.58	0
Captopril	−0.14	−0.08	−0.98	−0.55	0.97	0.50	3.21
Enalapril	0.36	0.16	−0.30	−0.08	0.70	0.18	2.31
Ramipril	0.36	0.08	−0.36	−0.12	0.78	0.23	2.44
Trandolapril	0.36	0.05	−0.44	−0.16	0.76	0.17	2.55
Perindopril	0.36	0.02	−0.52	−0.23	0.83	0.20	2.63
Benazepril	0.22	0.09	−0.35	0.07	0.43	0.10	2.71
Fosinopril	0.44	0.07	−0.31	−0.11	1.03	0.41	2.40
Temocapril	0.10	−0.13	−0.45	−0.21	0.49	0.03	2.88
Carnosine	0.61	0.48	−0.06	−1.2	0.65	0.73	0.58
Salicyl-carnosine	0.61	0.26	0.08	−0.58	0.63	0.49	1.46

* 1: GPCR ligand 2: Ion Channel Modulator 3: Kinase Inhibitor 4: Nuclear Receptor Ligand 5: Protease Inhibitor 6: Enzyme Inhibitor. ** Total sum of absolute difference at each of the six receptors between the drug and the general scaffold structure value.