Current breast cancer treatment has shifted to using natural ingredients such as C. zedoaria high potential and low side effects. Previous studies show that C. zedoaria active compounds used as anti-proliferative, increasing apoptosis, and anti-metastasis. However, information about the mechanism of the active compound to inhibition of CXCR4 in the carcinogenesis process unknown. CXCR4 is a specific receptor for CXCL12 and known to play an essential role in prognosis and drug target of breast cancer. This research aimed to analyze the effect of C. zedoaria active compounds as breast cancer chemotherapeutic agents through CXCR4 inhibition. Binding affinity value shows that 11 compounds from C. zedoaria have the potential to inhibit CXCR4 with the smallest binding affinity and the same binding site with Chalcone and Epirubicin. However, Stigmasterol, Campesterol, and β-sitosterol have the lowest binding affinity than the other active compound. Analysis of protein interaction shows that CXCR4 interacts with CXCL12, STAT3, and JAK2. Its protein used as a poor prognosis factor for cancer. These results indicate that C. zedoaria are active compounds and are highly potential as anti-breast cancer. Further research is needed to validate the above data.

1.
Latest global cancer data 3
(
2018
).
2.
Cancer Genome Atlas Network
,
Nature
490
,
61
(
2012
).
3.
V.
Pedraza
,
J.A.
Gomez-Capilla
,
G.
Escaramis
,
C.
Gomez
,
P.
Torné
,
J.M.
Rivera
,
A.
Gil
,
P.
Araque
,
N.
Olea
,
X.
Estivill
, and
M.E.
Fárez-Vidal
,
Cancer
116
,
486
(
2010
).
4.
M.H.
Zhang
,
H.T.
Man
,
X.D.
Zhao
,
N.
Dong
, and
S.L.
Ma
,
Biomed. Rep.
2
,
41
(
2014
).
5.
L.K.
Dunnwald
,
M.A.
Rossing
, and
C.I.
Li
,
Breast Cancer Res.
9
,
R6
(
2007
).
6.
F. Correa
Geyer
and
J.S.
Reis-Filho
,
Int. J. Surg. Pathol.
17
,
285
(
2009
).
7.
R.P.
Roop
and
C.X.
Ma
,
Future Oncol. Lond. Engl.
8
,
273
(
2012
).
8.
B.
Weigelt
,
F.L.
Baehner
, and
J.S.
Reis-Filho
,
J. Pathol.
220
,
263
(
2010
).
9.
F.M.
Blows
,
K.E.
Driver
,
M.K.
Schmidt
,
A.
Broeks
,
F.E.
van Leeuwen
,
J.
Wesseling
,
M.C.
Cheang
,
K.
Gelmon
,
T.O.
Nielsen
,
C.
Blomqvist
,
P.
Heikkilä
,
T.
Heikkinen
,
H.
Nevanlinna
,
L.A.
Akslen
,
L.R.
Bégin
,
W.D.
Foulkes
,
F.J.
Couch
,
X.
Wang
,
V.
Cafourek
,
J.E.
Olson
,
L.
Baglietto
,
G.G.
Giles
,
G.
Severi
,
C.A.
McLean
,
M.C.
Southey
,
E.
Rakha
,
A.R.
Green
,
I.O.
Ellis
,
M.E.
Sherman
,
J.
Lissowska
,
W.F.
Anderson
,
A.
Cox
,
S.S.
Cross
,
M.W.R.
Reed
,
E.
Provenzano
,
S.-J.
Dawson
,
A.M.
Dunning
,
M.
Humphreys
,
D.F.
Easton
,
M.
García-Closas
,
C.
Caldas
,
P.D.
Pharoah
, and
D.
Huntsman
,
Plos Med.
7
,
e1000279
(
2010
).
10.
C.
Xu
,
H.
Zhao
,
H.
Chen
, and
Q.
Yao
,
Drug Des. Devel. Ther.
9
,
4953
(
2015
).
11.
S.
Lefort
,
A.
Thuleau
,
Y.
Kieffer
,
P.
Sirven
,
I.
Bieche
,
E.
Marangoni
,
A.
Vincent-Salomon
, and
F.
Mechta-Grigoriou
,
Oncogene
36
,
1211
(
2017
).
12.
M. Okuyama
Kishima
,
C.E.C.
de Oliveira
,
B.K.
Banin-Hirata
,
R.
Losi-Guembarovski
,
K. Brajão
de Oliveira
,
M.K.
Amarante
, and
M.A.E.
Watanabe
,
Anal. Cell. Pathol.
(
2015
).
13.
C.-F.
Liu
,
S.-Y.
Liu
,
X.-Y.
Min
,
Y.-Y.
Ji
,
N.
Wang
,
D.
Liu
,
N.
Ma
,
Z.-F.
Li
, and
K.
Li
,
Plos ONE
9
,
e92629
(
2014
).
14.
N.
Lapteva
,
A.-G.
Yang
,
D.E.
Sanders
,
R.W.
Strube
, and
S.-Y.
Chen
,
Cancer Gene Ther.
12
,
84
(
2005
).
15.
M.C.P.
Smith
,
K.E.
Luker
,
J.R.
Garbow
,
J.L.
Prior
,
E.
Jackson
,
D.
Piwnica-Worms
, and
G.D.
Luker
,
Cancer Res.
64
,
8604
(
2004
).
16.
B.
Nisar
,
A.
Sultan
, and
S.L.
Rubab
,
Nat. Prod. Chem. Res.
06
, (
2018
).
17.
A.
Afzal
,
G.
Oriqat
,
M.A.
Khan
,
J.
Jose
, and
M.
Afzal
,
J. Biol. Act. Prod. Nat.
3
,
1
(
2013
).
18.
S.
Rajkumari
and
K.
Sanatombi
,
Int. J. Food Prop.
20
,
S2668
(
2017
).
19.
R.
Widyowati
and
M.
Agil
,
Chem. Pharm. Bull. (Tokyo)
66
,
506
(
2018
).
20.
R.
Lobo
,
K.S.
Prabhu
,
A.
Shirwaikar
, and
A.
Shirwaikar
,
J. Pharm. Pharmacol.
61
,
13
(
2009
).
21.
X.
Gao
,
Q.
Li
,
H.
Li
,
H.
Zhang
,
J.
Su
,
B.
Wang
,
P.
Liu
, and
A.
Zhang
,
Evid.-Based Complement. Altern. Med. ECAM
2014
, (
2014
).
22.
J.
Li
,
W.-H.
Bian
,
J.
Wan
,
J.
Zhou
,
Y.
Lin
,
J.-R.
Wang
,
Z.-X.
Wang
,
Q.
Shen
, and
K.-M.
Wang
,
Asian Pac. J. Cancer Prev. APJCP
15
,
9997
(
2014
).
23.
S.
Lakshmi
,
G.
Padmaja
, and
P.
Remani
,
Int. J. Med. Chem.
(
2011
).
24.
R.
Mustarichiei
,
J.
Levitas
, and
J.
Arpina
,
Med. J. Indones.
23
,
15
(
2014
).
25.
S.
Dallakyan
and
A.J.
Olson
,
Methods Mol. Biol. Clifton NJ
1263
,
243
(
2015
).
26.
O.
Trott
and
A.J.
Olson
,
J. Comput. Chem.
31
,
455
(
2010
).
27.
R.A.
Laskowski
and
M.B.
Swindells
,
J. Chem. Inf. Model.
51
,
2778
(
2011
).
28.
F.
Daubeuf
,
M.
Hachet-Haas
,
P.
Gizzi
,
V.
Gasparik
,
D.
Bonnet
,
V.
Utard
,
M.
Hibert
,
N.
Frossard
, and
J.-L.
Galzi
,
J. Biol. Chem.
288
,
11865
(
2013
).
29.
P.
Shannon
,
A.
Markiel
,
O.
Ozier
,
N.S.
Baliga
,
J.T.
Wang
,
D.
Ramage
,
N.
Amin
,
B.
Schwikowski
, and
T.
Ideker
,
Genome Res.
13
,
2498
(
2003
).
30.
M.
Sahoo
,
L.
Jena
,
S.
Daf
, and
S.
Kumar
,
Genomics Inform.
14
,
104
(
2016
).
31.
S.A.
Sehgal
,
N.A.
Khattak
, and
A.
Mir
,
Theor. Biol. Med. Model.
10
,
3
(
2013
).
32.
R.
Patil
,
S.
Das
,
A.
Stanley
,
L.
Yadav
,
A.
Sudhakar
, and
A.K.
Varma
,
Plos ONE
5
,
e12029
(
2010
).
33.
H.
Guo
,
Y.
Ge
,
X.
Li
,
Y.
Yang
,
J.
Meng
,
J.
Liu
,
C.
Wang
, and
H.
Xu
,
Signal Transduct. Target. Ther.
2
,
17033
(
2017
).
34.
C.S.
Marques
,
A.R.
Santos
,
A.
Gameiro
,
J.
Correia
, and
F.
Ferreira
,
BMC Cancer
18
,
741
(
2018
).
35.
K.
Li
,
D.
Yuan
,
R.
Yan
,
L.
Meng
,
Y.
Zhang
, and
K.
Zhu
, 6 (n.d.).
36.
Y.
Hadisaputri
,
T.
Miyazaki
,
S.
Suzuki
,
N.
Kubo
,
A.
Zuhrotun
,
T.
Yokobori
,
R.
Abdulah
,
S.
Yazawa
, and
H.
Kuwano
,
Int. J. Oncol.
47
, (
2015
).
37.
B.A.
Teicher
and
S.P.
Fricker
,
Clin. Cancer Res. Off. J. Am. Assoc. Cancer Res.
16
,
2927
(
2010
).
38.
Y.
Sun
,
X.
Mao
,
C.
Fan
,
C.
Liu
,
A.
Guo
,
S.
Guan
,
Q.
Jin
,
B.
Li
,
F.
Yao
, and
F.
Jin
,
Tumour Biol. J. Int. Soc. Oncodevelopmental Biol. Med.
35
,
7765
(
2014
).
39.
X.
Liu
,
Q.
Xiao
,
X.
Bai
,
Z.
Yu
,
M.
Sun
,
H.
Zhao
,
X.
Mi
,
E.
Wang
,
W.
Yao
,
F.
Jin
,
L.
Zhao
,
J.
Ren
, and
M.
Wei
,
Oncol. Rep.
32
,
2760
(
2014
).
40.
R.
Behera
,
V.
Kumar
,
K.
Lohite
,
S.
Karnik
, and
G.C.
Kundu
,
Carcinogenesis
31
,
192
(
2010
).
This content is only available via PDF.