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Brain & Heart Lipids in ALS: Bad and beneficial

Table 5. (Continued)
Compound Target Target description UniProt ID Amino acid Subcellular location Binding affinity
length (kcal/mol)
Rotenone CYP2C19 Cytochrome P450 2C19 P33261 490 Endoplasmic −7.378
reticulum membrane,
microsome membrane
MT-ND4 NADH-ubiquinone oxidoreductase P03905 459 Mitochondrion inner −7.279
chain 4 membrane
Valproic acid GCLC Glutamate-cysteine ligase catalytic P48506 637 Cytosol, −4.603
subunit mitochondrion
CPA3 Mast cell carboxypeptidase A P15088 417 Cytoplasmic vesicle −4.703
FOLH1 Glutamate carboxypeptidase 2 Q04609 750 Cell membrane −5.629
GRIK1 Glutamate receptor, ionotropic P39086 918 Postsynaptic cell −4.410
kainate 1 membrane
GRIK2 Glutamate receptor, ionotropic Q13002 908 Postsynaptic cell −4.447
kainate 2 membrane
MME Neprilysin P08473 750 Cell membrane −4.535
CPA1 Carboxypeptidase A1 P15085 419 Secreted −4.162

A B

C D

Figure 1. Interaction of the binding poses: (A) 4-hydroxynonenal and P07327, (B) 4-hydroxynonenal and P43088, (C) 4-hydroxynonenal and Q5QJU3,
and (D) 4-hydroxynonenal and Q92959

Search Server was utilized to explore potential molecular with higher values indicating greater similarity than lower
targets for organic compounds, generating a list of MTC and ones, but the value does not necessarily connote that the
P-values for result interpretation. MTC ranges from 0 to 1, compounds are identical to those curated in the database.
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Volume 2 Issue 3 (2024) 8 doi: 10.36922/bh.2976