Page 78 - BH-2-3

Brain & Heart Lipids in ALS: Bad and beneficial

Table 5. Cellular location of the targets and molecular docking binding affinity scores
Compound Target Target description UniProt ID Amino acid Subcellular location Binding affinity
length (kcal/mol)
4-Hydroxynonenal SLCO2A1 Solute carrier organic anion Q92959 643 Cell membrane, −4.142
transporter family member 2A1 cytoplasm, lysosome
ADH7 All-trans-retinol dehydrogenase P40394 386 Cytoplasm −3.747
(NAD[+]) ADH7
ACER2 Alkaline ceramidase 2 Q5QJU3 275 Golgi apparatus −4.516
membrane
ADH1C Alcohol dehydrogenase 1C P00326 375 Cytoplasm −3.863
PDCD4 Programmed cell death protein 4 Q53EL6 469 Cytoplasm, nucleus −3.510
ADH1A Alcohol dehydrogenase 1A P07327 375 Cytoplasm −4.363
ADH1B All-trans-retinol dehydrogenase P00325 375 Cytoplasm −4.295
(NAD[+]) ADH1B
OXER1 Oxoeicosanoid receptor 1 Q8TDS5 423 Cell membrane −3.980
PTGFR Prostaglandin F2-alpha receptor P43088 359 Cell membrane −4.313
Resveratrol NFE2L2 Nuclear factor erythroid 2-related Q16236 605 Cytoplasm, nucleus −6.733
factor 2
APP Amyloid-beta precursor protein P05067 770 Cell membrane, −6.245
cytoplasm, nucleus
TTR Transthyretin P02766 147 Amyloid, cytoplasm, −5.435
secreted
CA3 Carbonic anhydrase 3 P07451 260 Cytoplasm −5.947
NQO2 Ribosyldihydronicotinamide P16083 231 Cytoplasm −6.093
dehydrogenase (quinone)
CA5B Carbonic anhydrase 5B, Q9Y2D0 317 Mitochondrion −6.894
mitochondrial
CA6 Carbonic anhydrase 6 P23280 308 Secreted −7.070
CA5A Carbonic anhydrase 5A, P35218 305 Mitochondrion −6.128
mitochondrial
CYP1B1 Cytochrome P450 1B1 Q16678 543 endoplasmic −6.715
reticulum membrane,
microsome
membrane,
mitochondrion
PTGS1 Prostaglandin G/H P23219 599 endoplasmic −6.214
synthase 1 reticulum membrane,
microsome
membrane
CA14 Carbonic anhydrase 14 Q9ULX7 337 Cell membrane −6.167
TUBB1 Tubulin beta-1 chain Q9H4B7 451 Cytoplasm, −5.958
cytoskeleton,
microtubule
ALDH5A1 Succinate-semialdehyde P51649 535 Mitochondrion −6.775
dehydrogenase, mitochondrial
ABAT 4-Aminobutyrate aminotransferase, P80404 500 Mitochondrion −6.924
mitochondrial
RELA Transcription factor p65 Q04206 551 Cytoplasm, nucleus −5.980
AKR1B10 Aldo-keto reductase family 1 O60218 316 Lysosome, secreted −7.007
member B10
(Cont’d...)

Volume 2 Issue 3 (2024) 7 doi: 10.36922/bh.2976