Table 1. Sub-set of molecules tested for cardioprotection in perfused hearts.
Score | Compound | Structure | Mw* | LogP | Bioactivity, notes, references |
---|---|---|---|---|---|
0.546 | Dioxybenzone | 244.2 | 2.34 | UVA/UVB Blocker | |
0.580 | Cloxyquin | 179.6 | 2.29 | Antimycobacterial. Similar to clioquinol, a Zn chelator which stimulates autophagy 25 and uncouples mitochondria 51 |
|
0.732 | Methapyrilene | 261.4 | 3.41 | Antihistamine, anticholinergic, sedative |
|
0.581 | Mevastatin | 390.5 | 3.35 | Cholesterol lowering agent. Protects cardiomyocytes from IR injury via GSK-3β inhibition2 31. |
|
0.687 | Clorsulon | 380.7 | 0.58 | Antifilarial, used w. ivermectin. Phosphoglycerate kinase inhibitor 36. |
|
0.778 | 7-Hydroxyflavone | 238.2 | 2.68 | Vasorelaxant, possibly via KCa channels 39. |
|
1.003 | Propoxur | 209.3 | 1.53 | Insectiside, cholinesterase inhibitor. Elicits pressor response in-vivo 52 |
|
2.040 | Allopregnanolone | 304.5 | 3.99 | Neurosteroid. GABAA receptor agonist. Anesthetic (eltanolone 53, minaxolone 54) |
|
2.103 | Apiin | 562.5 | −0.98 | Flavonoid glycoside from parsley. | |
1.850 | 2,4-Dichloro phenoxybutyrate |
249.1 | 2.86 | Herbicide (2,4-DB) metabolized to 2,4-D (Agent Orange) |