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Table 2 Refined list of putative UGT2B10 ligands to be tested with docking predictions simulations

From: A potential implication of UDP-glucuronosyltransferase 2B10 in the detoxification of drugs used in pediatric hematopoietic stem cell transplantation setting: an in silico investigation

 

Pharmacology

Hepatotoxicity

Glucuronidation

Compound

Indication in HSCT setting / metabolite of drug

LiverTox database category*

liver toxicity data from curated source (Medscape)

Reported risk factor for SOS [4]

UGTs involved

Type of glucuronidation

Amine group presence

Sources

4-hydroxyvoriconazole

Voriconazole metabolite

N/A

N/A

N/A

UGT1A4 (hypothetical)

O-glucuronidation

Secondary amine

[34, 35]

Cyclosporine A

GvHD prophylaxis

C

Yes

Yes

UGT2B7

N/A

Tertiary amine

[36]

Dihydroxy voriconazole

Voriconazole metabolite

N/A

N/A

N/A

UGT1A4 (hypothetical)

O-glucuronidation

Secondary amine

[34, 35]

Hydroxymethyl voriconazole

Voriconazole metabolite

N/A

N/A

N/A

UGT1A4 (hypothetical)

O-glucuronidation

Secondary amine

[34, 35]

Lorazepam

Seizure prophylaxis

E

Yes

No

S-lorazepam:

UGT2B4

UGT2B7

UGT2B15

R-lorazepam:

UGT2B4

UGT2B7

UGT2B15

UGT1A7

UGT1A10

O-glucuronidation

Secondary amine

[37]

Methotrexate

GvHD prophylaxis

A

Yes

Yes

UGT1A6

N-glucuronidation

Tertiary amine

[38]

Methylprednisolone

GvHD prophylaxis

A

Yes

Yes

N/A

O-glucuronidation

Non-amine

[39, 40]

Mycophenolic acid

The active metabolite of mycophenolate mofetil

GvHD prophylaxis

D

Yes

No

UGT1A8

UGT1A9

UGT1A1 (minor)

UGT1A7 (minor)

UGT1A10 (minor)

UGT2B7 (minor)

O-glucuronidation

Non-amine

[41]

Acetaminophen

Analgesic, Antipyretic

A

Yes

No

UGT1A1

UGT1A6

UGT1A9

UGT2B15

O-glucuronidation

Secondary amine

[42]

Posaconazole

Antifungal

E

Yes

No

UGT1A4

O-or N-glucuronidation

Tertiary amine

[43]

UDCA-G1

Ursodeoxycholic acid metabolite

N/A

N/A

N/A

UGT1A3

UGT1A4

UGT2B7

UGT2B7

N/A

Non-amine

[44]

UDCA-G2

Ursodeoxycholic acid metabolite

N/A

N/A

N/A

UGT1A4

UGT2B7

N/A

Non-amine

[44]

Ursodeoxycholic acid

SOS prophylaxis

D

Yes?

Used as SOS prophylaxis

UGT1A3

UGT1A8

UGT1A9

UGT2B7

UGT2B17

O-glucuronidation

Non-amine

[44]

Voriconazole

Antifungal

B

Yes

No

UGT1A4

O-glucuronidation

Secondary amine

[34, 35]

Voriconazole N-oxide

Voriconazole metabolite

N/A

N/A

N/A

N/A

O-glucuronidation

Secondary amine

[34, 35]

Voriconazole N-oxide imtermediate UK-215,364 [35]

Voriconazole metabolite

N/A

N/A

N/A

N/A

O-glucuronidation

Secondary amine

[34, 35]

  1. *From LiverTox classification of the molecules regarding the potential to induce liver injury: A: Well known cause, B: Known or highly likely, C: Probable, D: Possible, E: not believed or unlikely [45]. GvHD: Graft versus host disease; HSCT: hematopoietic stem cell transplantation;N/A: not available data; SOS: sinusoidal occlusion syndrome; UDCA-G1 and UDCA-G2: ursodeoxycholic acid glucuronide conjugate 1 and 2 [44]. The structure of the molecules are presented in the additional file
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BMC Molecular and Cell Biology

ISSN: 2661-8850

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