Table 3.
Prediction of gut bacteria and the corresponding metabolic enzyme for biotransformation of some selected FDA-approved drugs and other clinically important molecules.
| Drug | Previous Reports | DrugBug Prediction |
|---|---|---|
| Ginsenoside Rb1 2 | Organism: Human and Gut microbiota (Bacteroides and Bifidobacterium) Type of reaction: Hydrolysis EC: 3.2.1.192* Enzyme: Ginsenoside Rb1 beta-glucosidase* ref. 58 | Organism: Escherichia coli MS 175-1, Bacteroides sp. 3 1 23, Citrobacter sp. 30 2, Enterobacter cloacae subsp. Cloacae NCTC 9394, Bifidobacteium animalis subsp. Lactis-AD011 Enzyme class: Hydrolses EC: 3.21.21 Enzyme: Glycosyl hydrolase family 3, thermostable β-glucosidase B, periplasmic β-glucosidase. |
| Quercetin-3-glucoside 2 | Organism: Human and Gut microbiota (Eubacterium and Enterococcus) Type of reaction: Deglycosylation EC: 2.4.1.239* Enzyme: flavonol-3-O-glucoside glucosyltransferase* ref. 59 | Organisms: Escherichia coli MS 187-1, Pseudomonas sp. 2 1 26, Streptococcus sp. 2 1 36FAA, Enterobacter cloacae subsp. Clocae NCTC 9394, Enterococcus faecium TX1330 Enzyme class: Transferases EC: 2.4.1.- Enzyme: Glucans biosynthesis glucosyltransferase H, rhamnosyltransferase 1 subunit A, Accessory Sec system glycosylation protein GtfA, Membrane glycosyltransferase, glycosyltransferase group 2 family protein |
| LoperamideOxide 1 | Organisms: Human and Gut microbiota Type of reaction: Reduction EC: 1.14.13.97* Enzyme: taurochenodeoxycholate 6alpha-hydroxylase* ref+. 60 | Organisms: Escherichia coli MS 119-7, Citrobacter youngae ATCC 29220, Klebsiella sp. 4 1 44FAA, Listeria innocua ATCC, Paenibacillus sp. HGF7 Enzyme class: Oxidoreductases EC: 1.14.-.-/1.14.13.- Enzyme: Rieske 2Fe-2S domain potein, putative monooxygenase MoxC, FMN-dependent oxidoreductase |
| Methamphetamine 1 | Organisms: Human and Gut microbiota (Lactobacilli, Enterococci and Clostridia) Type of reaction: Oxidoreductase/ Demethylation EC: 1.14.11.-* and 1.14.13.-* Enzyme: Hydroxylases, monooxygenases, dioxygeases, demethylases ref. 61 | Organisms: Escherichia coli MS 196-1, Ralstonia sp. 5 2 56FAA, Citrobacter freundii 4 7 47CFAA, Lactobacillus rhamnosus ATCC 21052, Enterococcus faecalis TX0104 Enzyme class: Oxidoreductases EC: 1.14.13.- and 1.14.14.1 Enzyme: 2-polyprenyl-6-methoxyphenol 4-hydroxylase, 2-nonaprenyl-3-methyl-6-methoxy-1,4-benzoquinol hydroxylase, 2-octaprenyl-3-methyl-6-methoxy-1,4-benzoquinol hydroxylase, pyridine nucleotide-disulfide oxidoreductase family protein |
| Omeprazole 1 | Organisms: Human and Gut microbiota Type of reaction: Reduction EC: 1.14.13.48* and 1.14.13.49* Enzyme: (S)-limonene 6-monooxygenase* and (S)-limonene 7-monooxygenase* ref. 62 | Organisms: Bacillus sp. 7 6 55CFAA CT2, Paenibacillus sp. HGF7, Paenibacillus sp. HGF5, Ralstonia sp. 5 7 47FAA Enzyme class: Oxidoreductase EC: 1.14.14.1 Enzyme: FAD binding domain protein, bifunctional P-450/NADPH-P450 reductase, FAD binding domain protein, Hypothetical protein (100% Identical with cytochrome P450 reductase of bacillus cereus) |
| Sorivudine 1 | Organism: Human and Gut microbiota (Bacteroides) Type of reaction: Phosphotransferase EC: 2.7.1.21* Enzyme: thymidine kinase* ref. 21 | Organism: Escherichia coli MS 69-1, Lactobacillus reuteri MM2-3, Klebsiella sp. 4 1 44FAA, Proteus mirabilis WGLW6, Bacteroides sp. 3 1 23, Escherichia coli SE11 Enzyme class: Transferases EC: 2.7.1.48 Enzyme: uridine kinase, uridine/cytidine kinase |
| Lactulose 1 | Organism: Human and Gut microbiota (Bacteroides, Bifidobacterium, clostridium and lactobacillus) Type of reaction: Hydrolysis EC: Unknown Enzyme: Unknown ref. 58 | Organism: Bifidobacterium longum subsp. longum 2-2B, Lactobacillus brevis subsp. gravesensis ATCC 27305, Megamonas hypermegale ART12 1, Clostridium leptum DSM 753 Enzyme class: Hydrolases EC: 3.2.1.185 Enzyme: Putative glycosylhydrolase |
| Zonisamide 1 | Organism: Human and Gut microbiota Type of reaction: Reduction EC: 1.14.13.97* Enzyme: taurochenodeoxycholate 6alpha-hydroxylase* ref. 63 | Organism: Pseudomonas sp. 2 1 26, Ralstonia sp. 5 7 47FAA, Klebsiella sp. 4 1 44FAA, Corynebacterium ammoniagenes DSM 20306 Enzyme class: Oxidoreductase EC: 1.14.12.- Enzyme: toluate 1,2-dioxygenase subunit beta, benzoate 1,2-dioxygenase, small subunit, benzoate 1,2-dioxygenase, large subunit |
| Cycasin 2 | Organism: Human and Gut microbiota Type of reaction: Hydrolysis EC: 3.2.1.21* Enzyme: Beta-glucosidase* [Google book] ref. 64 | Organism: Klebsiella sp. MS 92-3, Escherichia sp. 4 1 40B, Bacteroides ovatus ATCC 8483, Lactobacillus helveticus DSM 20075, Bifidobacterium adolescentis L2-32 Enzyme class: Hydrolases EC: 3.2.1.23 Enzyme: glycosyl hydrolase family 2, beta-galactosidase |
| Cyadox 3 | Organism: Human and Gut microbiota Type of reaction: Reduction EC: 1.14.-.-* Enzyme: Catalase and cytochrome P450s* refs 65, 66 | Organism: Escherichia sp. 4 1 40B, Citrobacter youngae ATCC 29220, Listeria innocua ATCC 33091, Paenibacillus sp. HGF7, Paenibacillus sp. HGF5 Enzyme class: Oxidoreductase EC: 1.14.-.- Enzyme: Putative dioxygenase subunit alpha yeaW, putative transporting ATPase, rieske 2Fe-2S domain protein, putative monooxygenase MoxC, FMN-dependent oxidoreductase, polyketide biosynthesis cytochrome P450 PksS |
*Enzyme was known in human host
1FDA approved drug;2: Pharmacologically active plant derivative;3: Pharmacologically active synthetic molecule; Ref: Reference