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Identification of new candidate drugs for lung cancer using chemical-chemical interactions, chemical-protein interactions and a K-means clustering algorithm

文献类型：期刊论文

作者Lu, Jing3; Chen, Lei1; Yin, Jun1; Huang, Tao5,6; Bi, Yi3; Kong, Xiangyin5,6; Zheng, Mingyue2; Cai, Yu-Dong4
刊名JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
出版日期2016
卷号34期号:4页码:906-917
关键词chemical-protein interaction K-means clustering algorithm lung cancer chemical-chemical interaction
ISSN号0739-1102
DOI10.1080/07391102.2015.1060161
文献子类Article
英文摘要Lung cancer, characterized by uncontrolled cell growth in the lung tissue, is the leading cause of global cancer deaths. Until now, effective treatment of this disease is limited. Many synthetic compounds have emerged with the advancement of combinatorial chemistry. Identification of effective lung cancer candidate drug compounds among them is a great challenge. Thus, it is necessary to build effective computational methods that can assist us in selecting for potential lung cancer drug compounds. In this study, a computational method was proposed to tackle this problem. The chemical-chemical interactions and chemical-protein interactions were utilized to select candidate drug compounds that have close associations with approved lung cancer drugs and lung cancer-related genes. A permutation test and K-means clustering algorithm were employed to exclude candidate drugs with low possibilities to treat lung cancer. The final analysis suggests that the remaining drug compounds have potential anti-lung cancer activities and most of them have structural dissimilarity with approved drugs for lung cancer.
WOS关键词VANDETANIB PLUS DOCETAXEL ; SOUTHWEST-ONCOLOGY-GROUP ; IN-SILICO PREDICTION ; PHASE-II TRIAL ; EGFR INHIBITOR ; CARBOPLATIN ; CELLS ; CISPLATIN ; ETOPOSIDE ; MODELS
资助项目National Basic Research Program of China[2011CB510101] ; National Basic Research Program of China[2011CB510102] ; National Natural Science Foundation of China[61202021] ; National Natural Science Foundation of China[31371335] ; National Natural Science Foundation of China[61373028] ; National Natural Science Foundation of China[11371008] ; National Natural Science Foundation of China[61303099] ; Innovation Program of the Shanghai Municipal Education Commission[12YZ120] ; Innovation Program of the Shanghai Municipal Education Commission[12ZZ087] ; Shanghai Educational Development Foundation[12CG55] ; Shanghai Municipal Natural Science Foundation[13ZR1455600]
WOS研究方向Biochemistry & Molecular Biology ; Biophysics
语种英语
WOS记录号WOS:000372157000017
出版者TAYLOR & FRANCIS INC
源URL[http://119.78.100.183/handle/2S10ELR8/276243]  
专题药物发现与设计中心
通讯作者Zheng, Mingyue; Cai, Yu-Dong
作者单位1.Shanghai Maritime Univ, Coll Informat Engn, Shanghai 201306, Peoples R China;
2.Shanghai Inst Mat Med, Drug Discovery & Design Ctr, Shanghai 201203, Peoples R China;
3.Yantai Univ, Collaborat Innovat Ctr Adv Drug Delivery Syst & B, Minist Educ, Sch Pharm,Key Lab Mol Pharmacol & Drug Evaluat, Yantai 264005, Peoples R China;
4.Shanghai Univ, Coll Life Sci, Shanghai 200444, Peoples R China
5.Shanghai Jiao Tong Univ, Sch Med SJTUSM, Inst Hlth Sci, Key Lab Stem Cell Biol, Shanghai 200025, Peoples R China;
6.Chinese Acad Sci, Shanghai Inst Biol Sci, Shanghai 200025, Peoples R China;
推荐引用方式
GB/T 7714		 Lu, Jing,Chen, Lei,Yin, Jun,et al. Identification of new candidate drugs for lung cancer using chemical-chemical interactions, chemical-protein interactions and a K-means clustering algorithm[J]. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS,2016,34(4):906-917.
APA Lu, Jing.,Chen, Lei.,Yin, Jun.,Huang, Tao.,Bi, Yi.,...&Cai, Yu-Dong.(2016).Identification of new candidate drugs for lung cancer using chemical-chemical interactions, chemical-protein interactions and a K-means clustering algorithm.JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS,34(4),906-917.
MLA Lu, Jing,et al."Identification of new candidate drugs for lung cancer using chemical-chemical interactions, chemical-protein interactions and a K-means clustering algorithm".JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS 34.4(2016):906-917.

入库方式： OAI收割

来源：上海药物研究所

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