免费文献传递   相关文献

Chemoinformatics study on antibacterial activity of traditional Chinese medicine compounds

中药化学成分抗菌活性化学信息学研究



全 文 :$,D¿‡ÁœžDnº
*U
!

!
*VW
!
XÐT
!
Y–Õ
!

Þßài6Ý ‘’õ¾ij k݆
!
ÙAX Þßà
$$$#

op
#!

#
ü˜DnºÎ
$
‡Ï$,D¿‡‡ÍãÁ’gƒÖÁœžŽÁ¾Êm
*
Ž
#
ü˜
<5C.O-FZE
ë
‚š$,D¿‡ƒ2àgÁ®˜ŽÁœ,“ŽE¨DãÁc‡=ïŸ|g¨©C’žŽá+–?
R?83!R.4
Z.S.NH-FS?.SFG8TGPF-E3GEF$
á+‡Íqž|p
*
sù‚š
(
äU$,D¿‡ƒ3ºÁœ,“Ž–ÃDãÁc‡L
=
*
‘
#
cîքUªŽ$,D¿‡
$
ÞwUDö“|‘ƒ‘GÁœ,“︎ãÁc‡=
$
[ÿŽ¨©C’ž
*
ã
öÖ︎,“/ož’²
$
ùîhUDö“e²8½÷Dö¿Áœ,“Žúô<ìDö“yzãÁ@
*
Y
#
Dnº
Žˆ˜GoËh$,D¿‡‡ÍãÁ’gƒÖÁœžŽÁ¾Êm
$
WXö[ŽÁœ,“<ìDö“yzãÁ
*

qrs
#!
$,D¿‡
+
Áœž
+
Dö“ãÁc‡=
+
Dnº

tu-F
#!*$*$(*)$$7

ykzm
#!
!
0ùõ
$
D³,j
$
x8ÏÉ,
$RES#!$&
(*%#(($U4/FHS# ZT5F1-DT17%2*#c-./

zm‰Š
# !
¦1
$
,j
$
x8gÁ,
$RES# ! $&
(*%#(#$U4/FHS# GD_X6N2#)c-./
!!
é
)$

$
Ÿ B%Ï1Y.“™e¢
$
Áœ,“Ž’
aƒ®˜sý}s
*
•qŽuv¡iQ14x5ù@
$
h>
ñýː·Ëÿ!²˜ÑҎÁœ,“ŽÿZõ‘ëäí
ŽgÁ®˜
*
2àgÁ¦¡˜ŽÁœ,“DØG #
4
8ÿ¥
U
%
 É%êU
%
äR82U
%
23wU<<
*
Áœ,“”e
asýÖäŽÁœŠ¾Ž!T
$
›¹œÿZ·‘G,“a
’[ˆž
,-
*
KËÁœ,“Ž4˜
$
®¨œŽ,žp™a
’
,*-
*

$
Áœ,“&”-$ÿò̈
$
‘$k•mú
%
ž(mú
%
£”mú
%
gDmúŽÿò̈Rڇ¡Ô
$

ð23÷>C‰Žÿò̈‘KžÇ
%
Þ¤òž<
<
,)4-
*
ãöï¦Ð„
$
÷æÖ|Pˆ”gÁ¦CÞ¯
‹ëöÛ®˜Áœ,“
+
t÷ÖÜùîÕeXŽÉË
oXŽ‡Í7*ãÁŽÁœ,“ˆ¿8ßWìl
*
ä폐|P$,D¿‡¾G︎Áœž
,#-
*
*CTÚDö“ãÁc‡
$
e‹¾Gc‡Ž,Û²˜h÷ö
Ûè
$
BKDnºUŠŽöÛ®˜
$
î·$,D¿
‡ƒ2àgÁˆ˜ŽÁœ,“ŽE¨DãÁc‡L=
$
,
$úô¾Gï¸ÁœžŽ$,D¿‡Uª
*
ã
Oeï8ۗ½÷D·ÖãÁçÕ
$
ö¿oXŽÉË$,D
ö“yzãÁŽÁœ,“
$
ùSÛ¿bìëàxÉö
$
,ùÏUßਜ3•·Ö,ŽÁœ,“뮘—a’
C‰ÿò̈ŽÁœ,“
*
!
|JƒÎ
W!
Áœ,“ë$,D¿‡
!
$טŽgÁÁœ,
“ïŸ$,D¿‡RÖ¡˜ÐÀ|î
$
p5Dö“Ž
89:AU8
u(›e”
?^V9UJ-./Z.T1QO
?ÚÌ$IzQ
1
*
$‚šE¨Dö“ãÁc‡=Ž–?8
RF1H/.C.
m?
!RF1H/.C.-.EPH-HE1C*
Î$뻊Dö“Ž=5
ž
$
ʈ
89:AU8
u(›ëo1ü˜
,%-
*
·ËïΔ
?^V9UJ-./Z.TQO
?ÚÌIzÖ
89:AU8
Ž$,D¿‡
$
TÚÖE¨‡ÍãÁ
$
•
JGF+
UŠ‰X¶‹ÖDãÁ
$
’¿Ö
89:AU8
u(›
*
W(!
‚šDö“c‡=Ÿá+–?
R?83!
×GŽ$,D
¿‡ëÇDãÁ’²‡8
(
äU
$
uÞwU
%
¼U
%
Ô
¬¹U
%
’“7U
%
·êU
%
TU
%
>¶UïŸãȹU
*
ü
˜¶·‡ÏUŠ
<5C.O-FZE
,(-
ïŸÖDnº‡ÏoŠ
,7-
‡ª‚špU$,D¿‡ƒ‘GgÁ®˜ŽÁ
œ,“쪎DãÁc‡ž
* RF1H/.C.
m?
!$ e
Žä
:˜Ë|gDö“ãÁc‡L=
*
‚šãO}¹é
$
|
î
*
5Dö“ãÁ}c‡
$
ãe‹&”c‡Ž,۝ž
,$-
*
–&Cú
,$-$
*{$
RF1H/.C.
m?Ž¨Ã,8
$c%*
‚š
RF1H/.C.
m?ìëQ1
E$
Ìä
*
5UDö“ì
ªŽ–Ãc‡L=
,$-
*
ˆó
$˜‚š×G˜
Dö“Ž
R?83$
Öä:e˜ËŒíDö“·Ë¨©BŽC
’ž
,-
*
?ڇÏü˜
LGFZD?FQ ?GHO/
UŠbÛ
*
ß
?h$c$$
ü8E‡ÏãO&”x5žEg
*
(!
ãO
(W!
HIŽÁœ,“ë$,D¿‡Ÿ×®˜ŽUŠ
!
*
{$
$
ÿo_4
#
ÙÁœ,“
*
R82àgÁˆ˜Ž
,“§Ù
*
ü˜¶·‡ÏUŠ
<5C.O-FZE
Že˜D
nºoŠ
TÈDö“ãÁc‡e‹¾Gc‡Ž
,۝žŽöÛè
$
·mÿ
&
Ù$,D¿‡½f4
ÁœžDnº‡Ï
$
ïh$,D¿‡‡ÍãÁ’
gƒÖÁœžŽÁ¾Êm
*
Kˏ$òŸDö“5?
ï$
$
C«$ÿ·í|xîDö“ŽÐÀë
89:AU8*
”*
/%%%/
v
)(
tv

x
*$)
q
)
r
!!!!!! ! ! ! ! ! !!!! ! ! ! !
\.Sc)($:OOTE!
9FG-D$ *$)
{‡Ï$
$
ü˜4
RF1H/.C.
m?²8‚šýýDö“ãÁc
‡=ŽDؖ?
,%-
+
ù
E
²8Œí
*
UDö“–ÃãÁc‡
=ŽDؖ?
,$-
$E
}:
$
|P
*
UDö“}c‡
*
×GD
ö“Žá+–?
R?83
K
‚šQ1
$
}:
$
|P,“
ŽÛ|B­G‹¿}Ö
,-
*
(W(!
ÿ!UªŽ$,D¿‡ƒ‘GÁœ,“ŽDö“ã
Ác‡=&”x5Eg
!
Ð¥ä폐|Pÿ!Dö“ã
Á’²Ž$,D¿‡Re|‘÷,ŽÁœž
$
UƏ
ãOùîÿ!UªŽ$,D¿‡KËÖ7ÃãÁŽE
g
$
|‘&”ƒÁœ,“Dö“ãÁc‡=Žx5Eg
!
i
$
|
*
i

8îÓi
$
xî4>¶UëÞwUDö“
ƒÁœ,“Ž
RF1H/.C.
m?Ž‡[Új
$
e﯁Áœ,“
쪎c‡=½@
$
Ö
RF1H/.C.
m?.RÃ8
$c&(*
Þwï
>¶ƒÁœ,“G8c‡
$
àPŽ
RF1H/.C.
m?.RÃ8
$c&&+
ù—P¡8
$c(*
”×G‡ÏŽ
&
Ù$,D¿
‡$
$
¡GË풓7UDö“|‘ƒÁœ,“”Dã
Á¦½8c‡
!RF1H/.C.
m?
y$c($$
i
**
”i
*
$
$
Ò
*
5Dö“Ž
RF1H/.C.
m?äË
$c($$
u˜„ñ¹
*
ãO
|P #
4
C5U’“7ƒ$ÙÁœ,“”DãÁ¦Ç¡c
‡
$
ùîˆU’“7ãe‹¾GÁœž
*
i
!
Þwë>¶ƒÁœ,“
RF1H/.C.
m?îï
IHNc!<./ZFGHO.1 .PPSFf.1.HQOF1Q OCEG.SO+HCD F1CH]F-CEGHFSO
H1 RF1H/.C.-.EPH-HE1C
|
!E
‚šãO
*
RF]SE!>EOTSC.PE4fFSTEOc
¿‡Uª Dö“5?
S ? E
’“7
*# )%c( *c(Ul*$$ c*Ul7
·ê
*#$ )&c% c#Ul7) #c#Ul(7
Þw
# *&c) c&Ul)% )c%Ul))
T
&# 7$c$ &c&Ul c$Ul&#
ãȹ
$* 7c* #cUl)& 7c7Ul)$
¼
)* )(c& *c&Ul** c)Ul%
Ô¬¹
*) c) #c&Ul& c)U

&# lc7 *c#U c7U
!!
&
#S$?$E
Ž‚š΍VCú
,$-*
æ¸û²
c
’“7Dö“
+
þ¸û²
c
Áœ,“
+RF1H/.C.
m?
y
$c($*
i
*!
’“7UDö“ƒÁœ,“ãÁc‡=‚šãO
IHNc*!?GEQH-CH.1 .PZ.CE1CHFSF1CH]F-CEGHFSF-CHfHC5.PFSYFS.HQO
E
Ž‚šãOƒï¦ãO÷›
!
|
*
Þw뒓7ï
Ÿ·êŽ
E
½:
$
ƒÖ„UªDö“cîGx5Oª
$
ùî
h
)
äUDö“”mæƒÁœ,“ãÁc‡L=ï@
*
ù>¶UD¿‡ï÷5ƒÁœ,“c‡
!RF1H/.C.
m?¨
Ã8
$c%
,$-
*
äØ&ӎÆ
$E
Žä:ƒDö“Ž?2ï
Ê
,$-
*
½÷DŽ‡ÏÍP
$
ÞwUDö“ƒ>¶UDö“
쪎
E
8
*c j$

$*
UDö“$ï³/Dö“ìªãÁ

!RF1H/.C.
m?
y$c%$
éP$,Dö“7*ãÁŽE
gx5»¼4±qŽÁœž
,#-
*
ÞwDö“Ç7*yz
Ž¨‘Eg+e¨‡8tU
$
ptUÞwDö“”Áœ,“
c‡L=¦´¨|‘x5Eg
!
|
**
|
*!
Þw
E
‚šãO
*
RF]SE*!>EOTSC.PE4fFSTEOP.GPSFf.1.HQOc
ÞwtUª Dö“5?
S ? E
ÞwŸÞw¶
#( *#%c7 )c*Ul$ )cUl&#
EâÞwŸEâÞw¶
)* (c* (cUl#% &c*Ul#)
gÞw
)) #c& %c7Ul## &c*Ul#*
~¸w
% #&c c*Ul)# )c*Ul))
Þ*ŸÞ*¶
&c* %c*Ul7 c%Ul
(W&!
$,D¿‡
R?83
‡Ï
!
,“|B­Gƒ,“”¨
œ81ŽG¾v=qËcÊ
,-
$
½ùëx5»¼,“Žu
œeŜž
*
*{$
$
ü˜ŒíDö“¨©C’žŽ
á+–?
R?83
mÃîïp$,D¿‡ë‘GÁœ,“
”Û|B­G¦ÆR&”x5Oª
!
i
)*
E‡Ïã
O|P
$
p$,D¿‡Uªƒ‘GÁœ,“”¨©C’ž
¦&”x5Eg
*
$4·êUDö“Ž
R?83
}sÉ@
$
ù
îևÍãÁqžïÖÿlBK¨œ¨©B
$
քpU$,
D¿‡R|‘ï¸Ž¨©BC’ž‹
*
·ÞwptU
Dö“Ž
R?83
‡ÏãO|P
$
ptUDö“Ž
R?83
ÿ&
”x5Eg
*
&!
i¿
Áœ,“ŽK=®˜3•”B%Õ¿äíÁ’¹ÿ!
/(%%/
v
)(
tv

x
*$)
q
)
r
!!!!!! ! ! ! ! ! !!!! ! ! ! !
\.Sc)($:OOTE!
9FG-D$ *$)
!!

?h$,$$*
i
)!
á+‡Íqž|p
!R?83
‚šãO
IHNc)!>EOTSC.PR?83-FS-TSFCH.1
L=Ž,
$
/ÔhÙÚjÿ¡6GHø
$
ùƔÙqƌ
*
‘/öÛ®˜h>,“
$
ڈ,žœÚŽ‘
$
ëÆ÷
5¾[øåŽgÁçè
*
!T
$
Áœ,“Ž÷>C‰Žÿò
̈!7{• -$ÏWt²P
*
”,Û$
$
&”h7÷5öێè
#
ãÁc‡ŽD
ö“‘‘+¾Gc‡Ž,“²˜
$
/|‘é‡Ž,۝
ž
*
ùBK‚šëîï”\äŽDö“aª$ŽDö“ì
ªŽãÁc‡ž
$
Ge‹e‘Dö“eÆ,“ŽXŽ,Û²
˜
,$-
*
*{$
$
ëü˜‘GŽDnºUŠ‚šë
‡ÏYK
&$
َ$,D¿‡ƒ2àgÁ®˜ŽÁœ,
“쪎ãÁc‡ž
*
0i,$WX1ö[Ž<ì,“y
zãÁŽ@
*
ëh
&
ÙרDö“ÇÖãÁ’²‡8
(
äU
$
uÞwU
%
¼U
%
Ô¬¹U
%
’“7U
%
·êU
%
TU
%
>¶UëãȹU
*
·päUDö“‡ª½f‡Ïëi¿
*
ù·ËÞwUDö“
$
ð’ªÇÖ7*ãÁŽ¨‘Eg
$
ë
Ö¨‡8

5tU
!
|
**
mÃùS
$
päU$,D¿‡
ƒ‘GgÁ®˜ŽÁœ,“”ãÁ’g¦&”ÿ!L=Ž

!
i
*
’“7
%
·êëÞwDö“|‘ËƒÁœ,
“Žx5c‡
!
|
*
*{ãOƒà•Ž÷
›
,#$*-
*
G
&
ْ“7Dö“‡ªƒvzUMƜ¹MÆ
}
%
äR82Uþÿ´0{¹
%
%bUж{¹ëÏ&œ
‚R@=c‡
!RF1H/.C.
m?
y$c($$*
*{‡Ïÿ¡‹é
P’“7&”Áœž
$
!T”÷,L=¦µî4ÖÁœ
žŽ$‰‡Í²˜ ‹
*
¾G$‰Áœ²˜ ‹ïgë
ڈ¨œ‘,
*
h÷új®’“7¿8cîքUD
ö“G8ö[²8Áœ,“ÕeŽ<ìDö“
$
U’“7–
”Ž¨©òžðDÿdà
$
G[˽÷D)+
*
Ð¥·ê”
Áœ,“c‡ž¦|‘ò¸
$
Uï䎇Íqžãe‹H‹
hUDö“½_¨œ81
$
x5÷ŒÖuœeŜž
*
G
×ÿ!ŽÆ
$
ÞwUD¿‡|‘ƒ‘GÁœ,“”ãÁ
¦Žx5c‡
$
ùîÖ¾Gÿ8»ŠŽÁœž
,#-
*
ÞwU
Dö“—Ë$÷UDö“
$
”V¨‘=¹‡[
$
÷h÷
ãÁ’²®Ö¾Gq֎ÁnDž‹
$
!T½÷Dµî!
7ŽãÁ’gãe‹®hUDö“¾G–”ŽÁœ
ž
,#-
*
ˆó
$
ÞwUDö“$VרŽ®_@‘äÈ
$
c7U“¬òžï:
*
à•|PäÈùú“¾
Gx5Žuœž
,)-
$
hƒ‡ÏãOÆ÷›Ž
!
|
**
B¦×!
$
|PDnºÎGoËøÏ$,
D¿‡ŽDö“ãÁ’gƒÖÁœžìªŽÁ¾Ê
m
$
Go˵î$,D¿‡Ž–”Áœ²˜
$
!Te˜
Ëe‘ëWXö[ŽÁœ,“<ì,“yzãÁ@
*
*{ë8ۗ½÷Dö¿oXŽÉË$,Dö“y
zãÁŽŒòG¾ŽX÷UÁœ,“
$
ùSÛ¿bìë
àxÉö
*

{|}~
#
, -!
/^Q
c
,, ‹¯Áœ,“Že¢
,W-c
σ6
#
g
Áås¿7¯
$*$$($*7!&#c
, * -!
$a
c
Áœ,“Že¢ŸÖ¨œ,ž
,W-c
„˜,“ƒg
Á
$*$$$(!#)c
, ) -!
p8©
$
³xƒ
$
9:
$
<
c*&7
e #
4
8ÿ¥UÁœ,“Žÿ
ò̈‡Ï
,W-c
$%,“ë#
$*$$$%!*#%c
, & -!
&¬­
$
¦×š
$
¿«¬
c)
e É%êUÁœ,“ÿòÌ
ˆ‡Ï
,W-c
IaI×Ï
$*$$(!)#&$c
, -!
¦
$
:®3
$
³òH
$
<
c&7
e23wUÁœ,ÿò̈‡
Ï
,W-c
,“Ýf¹
$*$$$7!7#$c
, # -!8FSEE/9$ ;FXHG9$ 3SH98$ ECFSc31CH/H-G.]HFS1FCTGFSZG.Q4
T-CO#F1 TZQFCE.1 PTCTGEF1CH]H.CH-QGTN-F1QHQFCEO,W-c;FC?G.Q
>EZ$*$$$*%!*#*)(c
, % -!>.NEGOJW$ RF1H/.C.RRc3-./ZTCEGZG.NGF/P.G-SFOOHP5H1N
ZSF1CO,W-c8-HE1-E$7#$$)*!)&)&#c
, ( -!8/..C9U$ [1.b$ >TO-DEH1OYHW$ ECFSc<5C.O-FZE*c(# 1E+
PEFCTGEOP.GQFCFH1CENGFCH.1 F1Q 1EC+.GY fHOTFSHXFCH.1,W-cVH.H14
P.G/FCH-O$*$$*%!)#&)c
, 7 -!>EO.TG-EP.GVH.-./ZTCH1N$ \HOTFSHXFCH.1$ F1Q :1P.G/FCH-O-DE/4
fHX# -DE/H1P.G/FCH-OZSTNH1 P.G-5C.O-FZE,UV=[A-,,*$*4$(4
*)-,DCZ#==+++c-NScT-OPcEQT=-5C.O-FZE=-DE/\HX=
,$-!bEHOEG9W$ >.CD VA$ 3G/]GTOCEGV;$ ECFSc>ESFCH1NZG.CEH1
ZDFG/F-.S.N5]5SHNF1Q -DE/HOCG5,W-c;FCVH.CE-D1.S$*$$%$*
!*#7%c
,-!UGCS?$ >.DQEV$ 8ESXEG?cIFOC-FS-TSFCH.1 .P/.SE-TSFGZ.SFG
OTGPF-EFGEFFOFOT/.PPGFN/E1C4]FOEQ -.1CGH]TCH.1OF1Q HCOFZ4
ZSH-FCH.1 C.CDEZGEQH-CH.1 .PQGTNCGF1OZ.GCZG.ZEGCHEO,W-cW9EQ
,*-!VG€CX4[EOCEGDESC@$ 8FOO?c?.OCNE1./H-OCGFCENHEOH1 F1CH]F-CEGH4
FSQGTNQHO-.fEG5,W-cITCTGE9H-G.]H.S$*$$$!$#)c
,)-!
÷PH
$
Š
$
˜5€
$
<
c
äÈgÞwŽuœ²˜
,W-c
äÈ
&
$*$$&$*)!*#$c
/7%%/
v
)(
tv

x
*$)
q
)
r
!!!!!! ! ! ! ! ! !!!! ! ! ! !
\.Sc)($:OOTE!
9FG-D$ *$)
0C?,@.AK@E,-B.JIIBGFD @A-AB.M-JB?E.-/-JB.Q.BD @KBE-F.B.@A-/
0C.A?I?,?F.J.A?J@,L@GAFI
@`3;LbT1$ A:MF1$ @`3;L D`T.4GF1$ L^ 3;KE14DTH$ ?^ MF14-DT1
!
!C);%63*)$3,-?%6*%+$ L,563 &-#0#%3)( =,.;#3%0,-=%6>#$ /)(#%0A$#D)6.#3+$ =%6>#$ $$$$ !#$%
,4MIBE-JB-!6MS?JB.Q?# RDEOCGT-CTGE4F-CHfHC5GESFCH.1ODHZ ]EC+EE1 CGFQHCH.1FS]F-CEGHFSF-CHfHC5+FOOCTQHEQ ]5-DE/.H1P.G/FCH-OFZZG.F-D,*J-DE/H-FSOCGT-CTGEOH/HSFGHC5F1Q C.Z.S.NH-FSZFGF/ECEGR?83!C.Z.S.NH-FS/.SE-TSFGZ.SFGOTGPF-EFGEF$ +DH-D /EFOTGEO-ESZEG4
/EF]HSHC5.P-DE/H-FSO$ ]EC+EE1 R<9-./Z.T1QOF1Q -SH1H-FSF1CH]F-CEGHFSO,RDE.fEGFSQENGEE.POCGT-CTGEOH/HSFGHC5+FOCDE1 -FS-T4
SFCEQ F1Q GEZGEOE1CEQ ]5E4fFSTEP.GCDEEHNDC-FCEN.GHEO.PR<9-./Z.T1QOF1Q CDEY1.+1 F1CH]F-CEGHFSO,8?IG/B# [TGGEOTSCOH1QH-F4
CEQ CDFCPSFf.1.HQOOD.+EQ N..Q OCGT-CTGFSOH/HSFGHC5+HCD F1CH]F-CEGHFSOF1Q FZZG.ZGHFCE-ESZEG/EF]HSHC5$ -./ZFGEQ +HCD CD.OE.PCDE
R<9-./Z.T1QO.PCDE.CDEG-FCEN.GHEO,3OPSFf.1.HQO+EGEPEFCTGEQ ]5N..Q QGTNOFPEC5$ HCOTNNEOCEQ CDFCCDE5-F1 ]EGENFGQEQ FOCDE
ZGEPEGEQ SEFQ -./Z.T1QOOYESEC.1 OCGT-CTGEO.TG-EP.GPTGCDEGF1CH]F-CEGHFSOO51CDEOHO,0@AJ/GI.@A# RDEFZZSH-FCH.1 .P-DE/.H1P.G/FC4
H-ODESZOE6ZS.GECDEOCGT-CTGE4F-CHfHC5GESFCH.1ODHZ ]EC+EE1 R<9-./Z.T1QOF1Q CDEF1CH]F-CEGHFSF-CHfHC5F1Q OEFG-D P.GOTHCF]SEF1CH4
]F-CEGHFSSEFQ -./Z.T1QOOYESEC.1 OCGT-CTGEO.TG-E,
,b?D U@EFI-!CGFQHCH.1FSF@.#)cV(aPJSJ,,()&)$&(

€-0
!
’““
#
/$(%/
v
)(
tv

x
*$)
q
)
r
!!!!!! ! ! ! ! ! !!!! ! ! ! !
\.Sc)($:OOTE!
9FG-D$ *$)