Evidence-Based Complementary and Alternative Medicine

Research Article

GEPSI: A Gene Expression Profile Similarity-Based Identification Method of Bioactive Components in Traditional Chinese Medicine Formula

Table 4

The 46 bioactive components of SWT.
HerbCompoundPubChem
CID		LibDock scoreTarget protein
ShudiCatalpol91520130.0061QKM
Catalpol91520127.0341X7R
Catalpol91520119.5713ERD
Catalpol91520120.6304J24
Isoacteoside6476333176.3874RLL
Isoacteoside6476333136.387ISGO
Leucosceptoside A10394343134.596ISGO
aucubin91458119.2783ERD
Cistanoside F44429870143.4681QKT
Cistanoside F44429870127.692ISGO
Melittoside11968737151.2904X1F
Acteoside5281800178.2034RLL
Acteoside5281800150.245ISGO
Martynoside44429856148.239ISGO
Forsythoside A45358127178.5344RLL
Forsythoside A45358127146.041ISGO
Ajugoside179611119.0324J24
Jioglutoside B11968648140.3844X1F
Jioglutoside B11968648123.671ISGO
Jioglutoside A11968647116.0653ERD
Jionoside D9895632130.081ISGO
Echinacoside5281771134.559ISGO
Dihydrocatalpol5705531128.9871QKM
Glutinoside24884124131.7181X7R
Glutinoside24884124122.0223ERD
Rehmannioside C6325883149.1061QKT
Rehmannioside C6325883137.0924J24
Rehmannioside C6325883153.3354X1F
Rehmannioside C6325883135.653ISGO
Rehmannioside B6325882145.1671QKT
Rehmannioside B6325882143.7134X1F
Rehmannioside B6325882126.837ISGO
Rehmannioside A86287413142.5821QKT
Rehmannioside A86287413138.0074X1F
Rehmannioside A86287413138.555ISGO
Daucosterol5742590138.1574X1F
Daucosterol5742590135.135ISGO
Geniposide107848129.0141X7R
Forsythiaside5281773177.5344RLL
Forsythiaside5281773148.451ISGO
8-Epiloganic acid158144128.8671X7R
8-Epiloganic acid158144121.8733ERD
sec-Hydroxyaeginetic acid15693867129.6571QKM
sec-Hydroxyaeginetic acid15693867139.9301QKT
sec-Hydroxyaeginetic acid15693867119.5973ERD
sec-Hydroxyaeginetic acid15693867119.6884J24
sec-Hydroxyaeginetic acid15693867177.9984RLL
sec-Hydroxyaeginetic acid15693867149.1404X1F
sec-Hydroxyaeginetic acid15693867149.648ISGO
DangguiOrientin5281675126.1314J24
Orientin5281675128.047ISGO
Trigalacturonic acid3641243141.9114X1F
Sphingomyelin52931203121.1533ERD
Daucosterol5742590138.1574X1F
Daucosterol5742590135.135ISGO
Senkyunolide91731751170.3064RLL
1,1,5-Trimethyl-2-formyl-
cyclohea-2,5-diene-4-one		None140.6191QKT
1,1,5-Trimethyl-2-formyl-
cyclohexa-2,5-diene-4-one		None142.3282GPP
1,1,5-Trimethyl-2-formyl-
cyclohexa-2,5-diene-4-one		None123.1284J24
1,1,5-Trimethyl-2-formyl-
cyclohexa-2,5-diene-4-one		None126.443ISGO
1,1,5-Trimethyl-2-formyl-
cyclohexa-2,5-diene-4-one		None125.665ISGO
ChuanxiongHeptadecanoic acid10429233127.7351X7R
Heptadecanoic acid10429233124.1904J24
Butyraldehyde14900122.0603ERD
Daucosterol5742590138.1574X1F
Daucosterol5742590135.135ISGO
Methyl 3,4-dimethylbenzoate7852140.6191QKT
Methyl 3,4-dimethylbenzoate7852123.1284J24
Methyl 3,4-dimethylbenzoate7852125.665ISGO
BaishaoPaeonianin E44256843141.990ISGO
Peonin44253993135.5164X1F
Peonin44253993124.317ISGO
Stigmasterol Glucoside6440962134.691ISGO
Paeonoside52952637172.4494RLL
Paeonoside52952637133.551ISGO
Paeoniflorin442534149.6571QKT
Paeoniflorin442534126.9881X7R
Paeoniflorin442534122.8724J24
Paeoniflorin442534138.0604X1F
Oxypaeoniflorin429559146.1271QKT
Oxypaeoniflorin429559141.5284X1F
Methyl linolelaidate5362793116.3283ERD
Galloylpaeoniflorin46882879137.131ISGO
Dotriacontane11008127.379ISGO
Acetytastragaloside5282102129.735ISGO
Albiflorin162355143.9651QKT
1,2,3,6-Tetragalloylglucose73178137.874ISGO