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Oxidative Medicine and Cellular Longevity
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Table of Contents
Special Issues
Oxidative Medicine and Cellular Longevity
/
2018
/
Article
/
Tab 4
/
Research Article
Carnosic Acid, a Natural Diterpene, Attenuates Arsenic-Induced Hepatotoxicity via Reducing Oxidative Stress, MAPK Activation, and Apoptotic Cell Death Pathway
Table 4
Dock score, Emodel value, and interacting residues in molecular docking analysis.
Sl. number
Proteins
Glide scores (Kcal/mol)
Glide Emodel values
Interacting residues in H-bond interaction
Other interactions
1.
Bax
−3.115
−15.341
Arg 37, Leu 122
Cation-
π
,
π
-π stacking with Arg 37
2.
Bcl-2
−4.986
−29.586
—
H-bond with H
2
O
3.
Caspase 9
−3.596
−23.725
Arg 355
π-π stacking, salt bridge with Arg 355
4.
Caspase 3
−4.263
−30.352
Arg 207, Thr 62
—
5.
Caspase 8
−4.060
−19.905
Glu 396, Thr 467
—
6.
I
κ
B
−6.524
−33.382
Asp 103, Leu 21
—
7.
NF-
κ
B
−6.042
−36.121
Arg 416, Leu 472
π-π stacking with Arg 408
8.
JNK
−4.642
−17.079
Asn 114
—
9.
p38
−5.608
−30.359
—
—