Cortical lipid metabolic pathway alteration of early Alzheimer’s disease and candidate drugs screen

Table 8 The molecular docking results of candidate therapeutic drugs and their directly targeting proteins

Protein	UniProt ID	PDB ID	AlphaFold ID	Drugs	Compound CID	Drug group	Affinity (kcal/mol)	References
ACSL1	P33121		P33121	Adenosine phosphate	6083	Approved, investigational, nutraceutical	− 5.71	[68, 69]
ACSBG2	Q5FVE4		Q5FVE4	Oxidized Photinus luciferin	135398698	Experimental	− 6.15	[70]
ACAA2	P42765	4c2k		Trimetazidine	21109	Experimental	− 4.44	[71]
FABP3	P05413	5hz9		Oleic acid	445639	Approved, Investigational, Vet_approved	− 4.47	[72]
FABP3	P05413	5hz9		Palmitic acid	985	Approved	− 3.86	[73]
ALDH5A1	P51649	2w8n		Succinic acid	1110	Approved, Nutraceutical	− 3.54	[74, 75]
ALDH5A1	P51649	2w8n		Valproic acid	3121	Approved, Investigational	− 3.08	[76]
FFAR4	Q5NUL3		Q5NUL3	BMS-488043	507806	Investigational	− 6.10	[77]

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