TABLE 4.
Potential targets of the 13 hits and TCBZ tested in adult worm assays
| Compound plate codea | MMV codeb | Target detailsc
|
||||
|---|---|---|---|---|---|---|
| No. of targets predicted | CHEMBL identifier | Preferred name | Organism | Protein target classification | ||
| PBH10 | MMV676380 | 3 | CHEMBL2535 | Glucose transporter | Homo sapiens | Transporter > electrochemical transporter > slc superfamily of solute carriers > slc02 family of hexose and sugar alcohol transporters |
| CHEMBL4697 | Hexose transporter 1 | Plasmodium falciparum | ||||
| CHEMBL3431938 | Glucose transporter | Leishmania mexicana | Transporter | |||
| PCE11 | MMV1029203 | 1 | CHEMBL3879831 | Ferrochelatase | Homo sapiens | Unclassified protein |
| PCF2 | MMV676053 | 1 | CHEMBL6145 | IMP dehydrogenase, probable | Cryptosporidium parvum | Enzyme |
| PCF4 | MMV023969 | 3 | CHEMBL2535 | Glucose transporter | Homo sapiens | Transporter > electrochemical transporter > slc superfamily of solute carriers > slc02 family of hexose and sugar alcohol transporters |
| CHEMBL4697 | Hexose transporter 1 | Plasmodium falciparum | ||||
| CHEMBL3431938 | Glucose transporter | Leishmania mexicana | Unclassified protein | |||
| PBF4 | MMV003270 | 19 | CHEMBL340 | Cytochrome P450 3A4 | Homo sapiens | Enzyme > cytochrome P450 > cytochrome P450 family 3 > cytochrome P450 family 3A > cytochrome P450 3A4 |
| CHEMBL289 | Cytochrome P450 2D6 | Homo sapiens | Enzyme > cytochrome P450 > cytochrome P450 family 2 > cytochrome P450 family 2D > cytochrome P450 2D6 | |||
| CHEMBL3397 | Cytochrome P450 2C9 | Homo sapiens | Enzyme > cytochrome P450 > cytochrome P450 family 2 > cytochrome P450 family 2C > cytochrome P450 2C9 | |||
| CHEMBL3622 | Cytochrome P450 2C19 | Homo sapiens | Enzyme > cytochrome P450 > cytochrome P450 family 2 > cytochrome P450 family 2C > cytochrome P450 2C19 | |||
| CHEMBL3356 | Cytochrome P450 1A2 | Homo sapiens | Enzyme > cytochrome P450 > cytochrome P450 family 1 > cytochrome P450 family 1A > cytochrome P450 1A2 | |||
| CHEMBL4040 | MAP kinase ERK2 | Homo sapiens | Enzyme > kinase > protein kinase > CMGC protein kinase group > CMGC protein kinase MAPK family > CMGC protein kinase ERK subfamily | |||
| CHEMBL2903 | Arachidonate 15-lipoxygenase | Homo sapiens | Enzyme | |||
| CHEMBL2756 | Monoamine oxidase B | Bos taurus | Enzyme | |||
| CHEMBL3254 | Monoamine oxidase A | Bos taurus | Enzyme | |||
| CHEMBL1075094 | Nuclear factor erythroid 2-related factor 2 | Homo sapiens | Unclassified protein | |||
| CHEMBL1293224 | Microtubule-associated protein tau | Homo sapiens | Unclassified protein | |||
| CHEMBL2362981 | TAR DNA-binding protein 43 | Homo sapiens | Unclassified protein | |||
| CHEMBL1293235 | Prelamin-A/C | Homo sapiens | Unclassified protein | |||
| CHEMBL1781865 | 78-kDa glucose-regulated protein | Homo sapiens | Unclassified protein | |||
| CHEMBL1977 | Vitamin D receptor | Homo sapiens | Transcription factor > nuclear receptor > nuclear hormone receptor subfamily 1 > nuclear hormone receptor subfamily 1 group I > nuclear hormone receptor subfamily 1 group I member 1 | |||
| CHEMBL1947 | Thyroid hormone receptor beta-1 | Homo sapiens | Transcription factor > nuclear receptor > nuclear hormone receptor subfamily 1 > nuclear hormone receptor subfamily 1 group A > nuclear hormone receptor subfamily 1 group A member 2 | |||
| CHEMBL1697668 | Solute carrier organic anion transporter family member 1B1 | Homo sapiens | Transporter > electrochemical transporter > slc superfamily of solute carriers > slc21/slco family of organic anion transporting polypeptides | |||
| CHEMBL1743121 | Solute carrier organic anion transporter family member 1B3 | Homo sapiens | ||||
| CHEMBL1741193 | Chromobox protein homolog 1 | Homo sapiens | Epigenetic regulator > reader > methyl-lysine/arginine binding protein > chromodomain | |||
| TCBZ | NA | 27 | CHEMBL1293278 | Geminin | Homo sapiens | Unclassified protein |
| CHEMBL1075094 | Nuclear factor erythroid 2-related factor 2 | Homo sapiens | Unclassified protein | |||
| CHEMBL1293224 | Microtubule-associated protein tau | Homo sapiens | Unclassified protein | |||
| CHEMBL1293258 | Mothers against decapentaplegic homolog 3 | Homo sapiens | Unclassified protein | |||
| CHEMBL2362981 | TAR DNA-binding protein 43 | Homo sapiens | Unclassified protein | |||
| CHEMBL2146310 | Aberrant vpr protein | Human immunodeficiency virus type 1 | Unclassified protein | |||
| CHEMBL2029198 | Rap guanine nucleotide exchange factor 4 | Homo sapiens | Unclassified protein | |||
| CHEMBL6152 | Alpha-synuclein | Homo sapiens | Unclassified protein | |||
| CHEMBL1293191 | Transcriptional regulator ERG | Homo sapiens | Unclassified protein | |||
| CHEMBL2007624 | Peripheral myelin protein 22 | Rattus norvegicus | Unclassified protein | |||
| CHEMBL1795086 | HSP90 | Plasmodium falciparum 3D7 | Unclassified protein | |||
| CHEMBL5567 | Luciferin 4-monooxygenase | Photinus pyralis | Enzyme | |||
| CHEMBL2007625 | Isocitrate dehydrogenase (NADP), cytoplasmic | Homo sapiens | Enzyme | |||
| CHEMBL3563 | Cruzipain | Trypanosoma cruzi | Enzyme > protease > cysteine protease > cysteine protease CA clan > cysteine protease C1A family | |||
| CHEMBL1293248 | 4′-Phosphopantetheinyl transferase FFP | Bacillus subtilis | Enzyme | |||
| CHEMBL1795087 | Ubiquitin carboxyl-terminal hydrolase 1 | Homo sapiens | Enzyme | |||
| CHEMBL1293234 | Putative fructose-1,6-bisphosphate aldolase | Giardia intestinalis | Enzyme | |||
| CHEMBL1293228 | Streptokinase A | Streptococcus pyogenes serotype M1 | Enzyme > kinase | |||
| CHEMBL2524 | Alpha-galactosidase A | Homo sapiens | Enzyme | |||
| CHEMBL1784 | Glucagon-like peptide 1 receptor | Homo sapiens | Membrane receptor > family B G protein-coupled receptor > peptide receptor (family B GPCR) > glucagon-like receptor > glucagon-like peptide receptor | |||
| CHEMBL1793 | Parathyroid hormone receptor | Homo sapiens | Membrane receptor > family B G protein-coupled receptor > peptide receptor (family B GPCR) > parathyroid hormone receptor > parathyroid hormone receptor | |||
| CHEMBL5162 | Neuropeptide S receptor | Homo sapiens | Membrane receptor > family A G protein-coupled receptor > peptide receptor (family A GPCR) > short peptide receptor (family A GPCR) > neuropeptide receptor | |||
| CHEMBL1293231 | Nuclear receptor ROR-gamma | Mus musculus | Transcription factor > nuclear receptor > nuclear hormone receptor subfamily 1 > nuclear hormone receptor subfamily 1 group F > nuclear hormone receptor subfamily 1 group F member 3 | |||
| CHEMBL1871 | Androgen receptor | Homo sapiens | Transcription factor > nuclear receptor > nuclear hormone receptor subfamily 3 > nuclear hormone receptor subfamily 3 group C > nuclear hormone receptor subfamily 3 group C member 4 | |||
| CHEMBL3880 | Heat shock protein HSP90-alpha | Homo sapiens | Other cytosolic protein | |||
| CHEMBL6032 | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Homo sapiens | Epigenetic regulator > writer > protein methyltransferase | |||
| CHEMBL4377 | Guanine nucleotide-binding protein G(s), subunit alpha | Homo sapiens | Other membrane protein | |||
a
Coordinates used to identify the compounds in each plate. For the following hits, no target was identified: MMV063404, MMV687730, MMV687251, MMV1030799, MMV690102, MMV085210, MMV688179, and MMV688921.
b
Identification codes assigned by MMV except for TCBZ.
c
Obtained by consulting ChEMBL. Abbreviations: MAP, mitogen-activated protein; MAPK, mitogen-activated protein kinase; ERK2, extracellular signal-regulated kinase 2; ERK extracellular signal-regulated kinase; slc, solute carrier; CMGC, cyclin-dependent kinase; MAPK, mitogen-activated protein kinase; GSK, glycogen synthase kinase; CLK, and CDC-like kinase; GPCR, G protein-coupled receptors; NA, not available.