Integration of Cancer Gene Co-expression Network and Metabolic Network To Uncover Potential Cancer Drug Targets

Inositol hexakisphosphate is known to be the phosphorous reserve in plants particularly in the seeds. Though it has been known for its antinutrient properties for many years, recent research shed light to reveal it as a novel anticancer agent. Hence the present study investigates the drug-likeness of phytic acid and its analogues through bioinformatics methods. Two potential cancer drug targets such as mitogen activated kinase and inositol 1,4,5-triphosphate receptor are included in the study. Out of 50 selected analogues of phytic acid, 42 structures interact well with the chosen drug targets. The best interacting structures are 1-diphosinositol pentakisphosphate and 2,3,4,5,6-pentaphosphonooxycyclohexyl dihydrogen phosphate. For both of these structures, the negative binding energy obtained was -49.5 KJ/mol; this affirms the stability of the complex. ADME properties are also predicted to assess the drug-like properties of the compounds. The structure activity relationship model is generated for 12 compounds with experimental IC50 values.

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New cancer drug targets identified in adrenocortical carcinoma through gene expression profiling

Endocrine Abstracts ◽

10.1530/endoabs.56.p115 ◽

2018 ◽

Author(s):

Raimunde Liang ◽

Isabel Weigand ◽

Barbara Altieri ◽

Stefan Kircher ◽

Sonja Steinhauer ◽

...

Keyword(s):

Gene Expression ◽

Gene Expression Profiling ◽

Adrenocortical Carcinoma ◽

Expression Profiling ◽

Drug Targets ◽

Cancer Drug

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Advances in Cancer Drug Targets

10.2174/97816080593861140201 ◽

2014 ◽

Keyword(s):

Drug Targets ◽

Cancer Drug

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Advances in Cancer Drug Targets

10.2174/97816810823321160301 ◽

2016 ◽

Keyword(s):

Drug Targets ◽

Cancer Drug

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Cellular Fitness Phenotypes of Cancer Target Genes from Oncobiology to Cancer Therapeutics

Cells ◽

10.3390/cells10020433 ◽

2021 ◽

Vol 10 (2) ◽

pp. 433

Author(s):

Bijesh George ◽

P. Mukundan Pillai ◽

Aswathy Mary Paul ◽

Revikumar Amjesh ◽

Kim Leitzel ◽

...

Keyword(s):

Drug Targets ◽

Target Genes ◽

Human Cancer ◽

Cancer Therapeutics ◽

Survival Duration ◽

Cancer Drug ◽

Targeted Therapeutics ◽

Cellular Targets ◽

Human Cancer Cells ◽

Cancer Types

To define the growing significance of cellular targets and/or effectors of cancer drugs, we examined the fitness dependency of cellular targets and effectors of cancer drug targets across human cancer cells from 19 cancer types. We observed that the deletion of 35 out of 47 cellular effectors and/or targets of oncology drugs did not result in the expected loss of cell fitness in appropriate cancer types for which drugs targeting or utilizing these molecules for their actions were approved. Additionally, our analysis recognized 43 cellular molecules as fitness genes in several cancer types in which these drugs were not approved, and thus, providing clues for repurposing certain approved oncology drugs in such cancer types. For example, we found a widespread upregulation and fitness dependency of several components of the mevalonate and purine biosynthesis pathways (currently targeted by bisphosphonates, statins, and pemetrexed in certain cancers) and an association between the overexpression of these molecules and reduction in the overall survival duration of patients with breast and other hard-to-treat cancers, for which such drugs are not approved. In brief, the present analysis raised cautions about off-target and undesirable effects of certain oncology drugs in a subset of cancers where the intended cellular effectors of drug might not be good fitness genes and that this study offers a potential rationale for repurposing certain approved oncology drugs for targeted therapeutics in additional cancer types.

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