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Literature summary for 2.5.1.21 extracted from

  • Shiuan, D.; Chen, Y.H.; Lin, H.K.; Huang, K.J.; Tai, D.F.; Chang, D.K.
    Discovering peptide inhibitors of human squalene synthase through screening the phage-displayed cyclic peptide c7c library (2016), Appl. Biochem. Biotechnol., 179, 597-609.
    View publication on PubMed
Search for more literature for 2.5.1.21

Application

Application Comment Organism
drug development the enzyme is a target for development of next-generation hypocholesterolemia drugs Homo sapiens

Cloned(Commentary)

Cloned (Comment) Organism
gene hSQS, recombinant enzyme expression in Escherichia coli strain BL21 (DE3) Homo sapiens

Inhibitors

Inhibitors Comment Organism Structure
BPH-701 about 60% inhibition at 0.005 mM Homo sapiens
CHQHNSMYC an ennea-peptide, slight inhibition Homo sapiens
CKTE a tetrapeptide Homo sapiens
CKTENMQSC an ennea-peptide Homo sapiens
CLGV a tetrapeptide Homo sapiens
CLGVHSSSC an ennea-peptide Homo sapiens
CLSPHSMFC an ennea-peptide Homo sapiens
CP-320473
-
 Homo sapiens
CP-424677
-
 Homo sapiens
CP-458003
-
 Homo sapiens
CPWW a tetrapeptide Homo sapiens
CQMHQLSSC an ennea-peptide Homo sapiens
CSGMKTTGC an ennea-peptide Homo sapiens
CSTLKVATC an ennea-peptide Homo sapiens
CSTPWHQWC an ennea-peptide Homo sapiens
CTVNWYPLC an ennea-peptide Homo sapiens
KTTG a tetrapeptide Homo sapiens
LSPH a tetrapeptide Homo sapiens
additional information discovering peptide inhibitors of human squalene synthase through screening the phage-displayed cyclic peptide c7c library, molecular modelling and ADMET predictions of the selected peptides, using the crystal structure PDB 1EZF, a homo-trimer protein complex (with inhibitors CP-320473, CP-458003 and CP-424677), as the target, overview. The inhibitory peptides have potentials to develop cholesterol-lowering therapeutics. The ligand-protein interaction analysis also reveals that the inner hydrophobic pocketis a critical site of human enzyme for inhibition. No binding of peptide CPWWYGPWC. Cytotoxicity effects of different inhibitors, and protein-ligand interaction analysis, overview Homo sapiens
SMFC a tetrapeptide Homo sapiens
SPHS a tetrapeptide, slight inhibition Homo sapiens
TAK-475
-
 Homo sapiens
WHQW a tetrapeptide Homo sapiens
YGPW a tetrapeptide Homo sapiens

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
2 (2E,6E)-farnesyl diphosphate + NADPH + H+ Homo sapiens
-
 squalene + 2 diphosphate + NADP+
-
 ?

Organism

Organism UniProt Comment Textmining
Homo sapiens P37268
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
2 (2E,6E)-farnesyl diphosphate + NADPH + H+
-
 Homo sapiens squalene + 2 diphosphate + NADP+
-
 ?

Synonyms

Synonyms Comment Organism
hSQS
-
 Homo sapiens

Cofactor

Cofactor Comment Organism Structure
NADPH dependent on Homo sapiens

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.064
-
 pH and temperature not specified in the publication Homo sapiens CLSPHSMFC
0.076
-
 pH and temperature not specified in the publication Homo sapiens SMFC
0.087
-
 pH and temperature not specified in the publication Homo sapiens CKTE
0.09
-
 pH and temperature not specified in the publication Homo sapiens WHQW

General Information

General Information Comment Organism
physiological function squalene synthase is the rate-limiting enzyme located at the downstream of cholesterol synthesis pathway Homo sapiens