afb 1 -dguo adduct opposite dcyd

18
AFB 1 -dGuo Adduct Opposite dCyd

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AFB 1 -dGuo Adduct Opposite dCyd. O. O. P. O. O. O. H. O. H. O. Reactions of AFB 1 -dGuo adduct. O. O. O. O. C. H. 3. H. O. hydrolysis. H. H. O. H. O. O. O. O. depurination. O. O. C. H. 3. formamidopyrimidine (Fapy). H. O. H. H. O. O. O. N. H. N. N. - PowerPoint PPT Presentation

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Page 1: AFB 1 -dGuo Adduct Opposite dCyd

AFB1-dGuo Adduct Opposite dCyd

Page 2: AFB 1 -dGuo Adduct Opposite dCyd

Reactions of AFB1-dGuo adduct

depurination

hydrolysis

OOP

O

O OH

HO

O

apurinic site

O

O

O

N

NHN

H2N

O

OHH

H

OCH3

OO

N

O

H O

H

H O

H

O

O O C H3

O

O

O

H O

HH

O

O O C H3

O

O

N

H N

O

H2

N N

N

O

N

N

HN

N

dR

H2N

O

HO

HH

O

N

NH

HN

N

dR

H2N

O

HO

HH

CHOH2O

formamidopyrimidine

(Fapy)

Page 3: AFB 1 -dGuo Adduct Opposite dCyd

Ring-opened formamido pyrimidine (FAPy) of AFB1 adduct at dGuo N7

Page 4: AFB 1 -dGuo Adduct Opposite dCyd

HN

N

O

H2N N

N

dR

CH2

O

H

O Cl

HN

N

O

H2N N

N

dR

HN

N

O

H2N N

N

dR

CH2

O

Cl

H

N7-(2-oxoethyl)dGuo

N

dR

O

N

NHN

O

N

N

dRN N

N N

N

dR

N

N

N2,3-dGuo 1,N6-dAdo 3,N4-dCyd

ADDUCT OF 2-CHLOROOXIRANE WITH dGuo AND OTHER dNUCLEOSIDES

= “etheno”

Page 5: AFB 1 -dGuo Adduct Opposite dCyd

3,N4-Etheno-dC opposite dGuo adduct

Page 6: AFB 1 -dGuo Adduct Opposite dCyd

FORMATION OF 2-AAF ADDUCT

HN

N

N

N

O

H2NN

AcN

Ac

HN

N

N

N

O

H2N

H

N

Ac

HN

N

N

N

O

H2N

2-AAF-dGuo C8 adduct

Page 7: AFB 1 -dGuo Adduct Opposite dCyd

2-AF-dGuo adduct at template junction

Page 8: AFB 1 -dGuo Adduct Opposite dCyd

Common direct acting alkylating agents H2N N

O

CH3

NO

H2O

HNCH3

NO+ H2N OH

O

N-methyl-N-nitrosourea (MNU)

methylnitrosamine carbamic acid

HN N

NH

CH3

NOO2N

N-methyl-N'-nitro-N-nitrosoguanidine (MNNG)

H2O

methylnitrosamine

HNCH3

NONH2

O

O2NN

H

+

nitrourea

H3C S OCH3

O

O

methylmethanesulfonate

H3CO S OCH3

O

O

dimethyl sulfate

O

H2C CH2

O

propiolactone

NP

O N CH2CH2Cl

O

CH2CH2Cl

cyclophosphamide

H2C CH2

O

OH3C

ethylene oxide

propylene oxide

Page 9: AFB 1 -dGuo Adduct Opposite dCyd

Deamination via diazotization reaction

Page 10: AFB 1 -dGuo Adduct Opposite dCyd

REACTIVE ALDEHYDES FROM LIPID PEROXIDATION AND TRICYCLIC ADDUCTS

OH

O

malondialdehyde (enol form)

N

N

N

O

N

N

dR

1,N2-propeno dG

O

N

OH

N

N

O

N

N

dR

NHO

N

N

O

N

N

dR

acrolein CH3

O

NH3C

OH

N

N

O

N

N

dR

crotonaldehyde

O

OH

N

OH

N

N

O

N

N

dR

HO

4-hydroxy-2-nonenal

4 isomers

O

OH

O

4-hydroxy-2,3-epoxynonanal

N

O

N

N

dR

N

NN

O

N

N

dR

N

N

O

1,N2-etheno dG 4 isomers

+

+

1,N2-propano dG, two isomers

Page 11: AFB 1 -dGuo Adduct Opposite dCyd

R = CH2 CH3

N

R

OH

OH

N

N

O

N

N

N

HO

OH

N

R

HO

O

HO

H

N

N

O

N

N

O

HO

OH

HN N

N

O

N

N

N

HO

OH

H

CHOCHR

HO

+

dGuo from initial 2,3-epoxy-4-hydroxynonanal adducts

Page 12: AFB 1 -dGuo Adduct Opposite dCyd

Quinone redox cycling is a source of reactive oxygen species (ROS)

Page 13: AFB 1 -dGuo Adduct Opposite dCyd

2O2-/ + 2H+ H2O2 + O2

 

H2O2 + Mn+ HO + HO- + M(n+1)+

GENERATION OF HYDROXYL RADICAL (HO•) BY SUPEROXIDE DISMUTASE

(eq. 1) and the FENTON REACTION (eq. 2)

SOD(1)

(2)

Page 14: AFB 1 -dGuo Adduct Opposite dCyd

N

N

NH2

OH

O

dR

N

N

NH2

O

dR

OH

OH

H

H

5-hydroxy dCyd 5,6-dihydroxy-5,6-dihydrodCyd

HN

N

O

O

dR

OH

OH

CH3

H

dThyd glycol

PRODUCTS OF ATTACK OF HYDROXYL RADICAL ON NUCLEOBASES

HN

N N

N

O

H2N

HN

N N

N

H2NOH

N

N N

N

O

H2N N

N

NH

O

NH2N

O

NH

O NH2

NH2

HN

N N

N

O

H2N

OH

H

HN

N N

HN

O

H2N

O

HN

N NH

HN

O

H2N

CHO

HO

HO

O2, H2O H2O

O2

reduction

- H2O

dZdIz

Fa pyG

8-oxo-dGuodGuo

Page 15: AFB 1 -dGuo Adduct Opposite dCyd

phosphoglycolate

base propenal

nucleotide 5'-aldehyde

furfural

aerobic anaerobicboth

RO3PO HO O

CH3H

OPO3R'

O O

HO H

OPO3R'

O O

CH3 HO O

PRODUCTS OF 4' AND 5',5'' DEOXYRIBOSE HYDROGEN ABSTRACTION

R, R'= DNA strand

RO3PO H

OPO3R'

O O

HO H

OH

O O

O-

O

RO3PO

B

HH

O

O BH

OPO3R'

O

OHO

OHCH

OPO3R'

O O

OHCH

OH

O O

4'

5',5''

Page 16: AFB 1 -dGuo Adduct Opposite dCyd

Formation of base propenal

Reaction of base propenal with dAdo to form M1G

Page 17: AFB 1 -dGuo Adduct Opposite dCyd

N

NHN

NH

OO

OH2N

dR

HN

N N

HN

O

H2N

O

spiroiminodihydantoin(Sp)

1O2

dGuo

Oxidation of 8-oxodGuo by singlet oxygen (1O2)

Page 18: AFB 1 -dGuo Adduct Opposite dCyd

Review of PAH adduct structures by NMR spectrometry:

Nicholas E. Geacintov, et al., Chem. Res. Toxicol., 1997, 10, 112.

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