Complementary Study of Structure Features and Gene Profile ...

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Oct 2, 2013 (4 years and 1 month ago)

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Complementary Study of Structure Features and Gene Profile Features
for Chemical Compounds

Author(s):

Sheng, Z
(Sheng Zhen)
1
;
Kang, H
(Kang Hong)
1
;
Dai, TL
(Dai Tianli)
1
;
Liu, Q
(Liu Q
i)
1
;
Zhu, RX
(Zhu
Ruixin)
1


Source:
ACTA CHIMICA SINICA


Volume:

68


Issue:

23


Pages:

2395
-
2400


Published:

DEC 14 2010

Times Cited:

1

(from Web of Science)

Cited References:

46

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Abstract:

The application of molecular fingerprints has a long
history in computational medicinal chemistry, on
the other side, gene microarray is playing an important role in bio
-
marker identification. Traditionally, these two
technologies belong to different areas, i.e.,
chemoinformatics

and bioinformatics, respecti
vely. And they have
never been jointly applied in one study yet. Recently, the appearance of small
-
molecular microarray data makes it
possible to jointly use the compound structure information as well as gene
-
expression profile as a comprehensive
descripti
on for drug study. Therefore, a novel approach is reported to describe compounds by integrating data
from both of the two types, on the basis of the philosophy of the mutual complement of "essence" and "extension".
Comparing of the similarity searching res
ults derived from the compound description with only the structure
fingerprint or the gene
-
expression profile, our integrated methodology indicated much better description ability. As
a conclusion, our complementary description of chemical compound from an

integration view of structure
fingerprint and gene expression file will shed new light on the drug study in both area of bioinformatics and
chemoinformatics
. It is expected to provide more effective drug screening model with its great description ability
and accelerate the process of drug design eventually.

Accession Number:

WOS:000286082500004

Document Type:

Article

Language:

Chinese

Author Keywords:

molecular fingerprint; gene expression; small
-
molecular microarray; drug screening;
complementary
theory

KeyWords Plus:

SMALL
-
MOLECULE MICROARRAYS; DEVELOPMENT KIT CDK; SOURCE JAVA LIBRARY;
PROTEIN; BIOINFORMATICS; PROTEOMICS; INHIBITOR; CHEMISTRY; EXPRESSION; GENOMICS

Reprint Address:

Sheng, Z (reprint author), Tongji Univ, Coll Life Sci &
Biotechnol, Shanghai 200092, Peoples R
China.

Addresses:


1. Tongji Univ, Coll Life Sci & Biotechnol, Shanghai 200092, Peoples R China

E
-
mail Address:

qiliu@tongji.edu.cn
;
rxzhu@tongji.edu.cn


Publisher:

SCIENCE CHINA PRESS, 16 DONGHUANGCHENGGEN NORTH ST, BEIJING 100717, PEOPLES
R CHINA

Web of Science Categories:

Chemistry, Multidisciplinary

Research Areas:

Chemistry

IDS Number:

704VA

ISSN:

0567
-
7351