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The Use of Chemical-Chemical Interaction and Chemical Structure to Identify New Candidate Chemicals Related to Lung Cancer.

Chen L, Yang J, Zheng M, Kong X, Huang T, Cai YD - PLoS ONE (2015)

Bottom Line: The identification of new chemicals related to lung cancer may aid in disease prevention and the design of more effective treatments.Then, a randomization test as well as chemical-chemical interaction and chemical structure information were utilized to make further selections.A final analysis of these new chemicals in the context of the current literature indicates that several chemicals are strongly linked to lung cancer.

View Article: PubMed Central - PubMed

Affiliation: College of Life Science, Shanghai University, Shanghai, 200444, People's Republic of China; College of Information Engineering, Shanghai Maritime University, Shanghai, 201306, People's Republic of China.

ABSTRACT
Lung cancer causes over one million deaths every year worldwide. However, prevention and treatment methods for this serious disease are limited. The identification of new chemicals related to lung cancer may aid in disease prevention and the design of more effective treatments. This study employed a weighted network, constructed using chemical-chemical interaction information, to identify new chemicals related to two types of lung cancer: non-small lung cancer and small-cell lung cancer. Then, a randomization test as well as chemical-chemical interaction and chemical structure information were utilized to make further selections. A final analysis of these new chemicals in the context of the current literature indicates that several chemicals are strongly linked to lung cancer.

No MeSH data available.


Related in: MedlinePlus

78 shortest paths connecting 13 SCLC-related chemicals, which were obtained by applying Dijkstra’s algorithm in the constructed network.Yellow rectangles represent 13 NSCLC-related chemicals, and red rectangles represent 22 other chemicals involved in these 78 shortest paths. Numbers on edges represent edge weights in the network.
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pone.0128696.g002: 78 shortest paths connecting 13 SCLC-related chemicals, which were obtained by applying Dijkstra’s algorithm in the constructed network.Yellow rectangles represent 13 NSCLC-related chemicals, and red rectangles represent 22 other chemicals involved in these 78 shortest paths. Numbers on edges represent edge weights in the network.

Mentions: Following the same procedures, 78 shortest paths (see S2 Table for details) connecting any pair of 13 known SCLC-related chemicals were obtained in the weighted network, which are illustrated in Fig 2. A total of 22 other chemicals were also involved in one of these paths beyond the 13 SCLC-related chemicals; these 22 chemicals were selected as candidate chemicals for SCLC. These candidate chemicals are listed in Table 3. Similarly, these candidate chemicals were filtered by a randomization test, thereby calculating the permutation FDR for each candidate chemical, which is listed in in column 5 of Table 3. Similar to NSCLC, we also selected 0.05 as the threshold. Thus, five chemicals (see chemicals labeled with ‘c’ in Table 3): magnesium, zinc, calcium, glycerol, adenosine triphosphate were excluded, and 17 candidate chemicals remained (see the first 17 chemicals in Table 3).


The Use of Chemical-Chemical Interaction and Chemical Structure to Identify New Candidate Chemicals Related to Lung Cancer.

Chen L, Yang J, Zheng M, Kong X, Huang T, Cai YD - PLoS ONE (2015)

78 shortest paths connecting 13 SCLC-related chemicals, which were obtained by applying Dijkstra’s algorithm in the constructed network.Yellow rectangles represent 13 NSCLC-related chemicals, and red rectangles represent 22 other chemicals involved in these 78 shortest paths. Numbers on edges represent edge weights in the network.
© Copyright Policy
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4457841&req=5

pone.0128696.g002: 78 shortest paths connecting 13 SCLC-related chemicals, which were obtained by applying Dijkstra’s algorithm in the constructed network.Yellow rectangles represent 13 NSCLC-related chemicals, and red rectangles represent 22 other chemicals involved in these 78 shortest paths. Numbers on edges represent edge weights in the network.
Mentions: Following the same procedures, 78 shortest paths (see S2 Table for details) connecting any pair of 13 known SCLC-related chemicals were obtained in the weighted network, which are illustrated in Fig 2. A total of 22 other chemicals were also involved in one of these paths beyond the 13 SCLC-related chemicals; these 22 chemicals were selected as candidate chemicals for SCLC. These candidate chemicals are listed in Table 3. Similarly, these candidate chemicals were filtered by a randomization test, thereby calculating the permutation FDR for each candidate chemical, which is listed in in column 5 of Table 3. Similar to NSCLC, we also selected 0.05 as the threshold. Thus, five chemicals (see chemicals labeled with ‘c’ in Table 3): magnesium, zinc, calcium, glycerol, adenosine triphosphate were excluded, and 17 candidate chemicals remained (see the first 17 chemicals in Table 3).

Bottom Line: The identification of new chemicals related to lung cancer may aid in disease prevention and the design of more effective treatments.Then, a randomization test as well as chemical-chemical interaction and chemical structure information were utilized to make further selections.A final analysis of these new chemicals in the context of the current literature indicates that several chemicals are strongly linked to lung cancer.

View Article: PubMed Central - PubMed

Affiliation: College of Life Science, Shanghai University, Shanghai, 200444, People's Republic of China; College of Information Engineering, Shanghai Maritime University, Shanghai, 201306, People's Republic of China.

ABSTRACT
Lung cancer causes over one million deaths every year worldwide. However, prevention and treatment methods for this serious disease are limited. The identification of new chemicals related to lung cancer may aid in disease prevention and the design of more effective treatments. This study employed a weighted network, constructed using chemical-chemical interaction information, to identify new chemicals related to two types of lung cancer: non-small lung cancer and small-cell lung cancer. Then, a randomization test as well as chemical-chemical interaction and chemical structure information were utilized to make further selections. A final analysis of these new chemicals in the context of the current literature indicates that several chemicals are strongly linked to lung cancer.

No MeSH data available.


Related in: MedlinePlus