Literature DB >> 28699531

Identification of Antineoplastic Targets with Systems Approaches, Using Resveratrol as an In-Depth Case Study.

Nivedita Singh1, Sherry Freiesleben2, Olaf Wolkenhauer2, Yogeshwer Shukla1, Shailendra K Gupta1.   

Abstract

The identification and validation of novel drug-target combinations are key steps in the drug discovery processes. Cancer is a complex disease that involves several genetic and environmental factors. High-throughput omics technologies are now widely available, however the integration of multi-omics data to identify viable anticancer drug-target combinations, that allow for a better clinical outcome when considering the efficacy-toxicity spectrum, is challenging. This review article provides an overview of systems approaches which help to integrate a broad spectrum of technologies and data. We focus on network approaches and investigate anticancer mechanism and biological targets of resveratrol using reverse pharmacophore mapping as an in-depth case study. The results of this case study demonstrate the use of systems approaches for a better understanding of the behavior of small molecule inhibitors in receptor binding sites. The presented network analysis approach helps in formulating hypotheses and provides mechanistic insights of resveratrol in neoplastic transformations. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

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Keywords:  Network; drug design; reverse docking; systems biology; therapeutic targets; transformations

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Year:  2017        PMID: 28699531     DOI: 10.2174/1381612823666170710152918

Source DB:  PubMed          Journal:  Curr Pharm Des        ISSN: 1381-6128            Impact factor:   3.116


  2 in total

1.  Interaction of anthraquinones of Cassia occidentalis seeds with DNA and Glutathione.

Authors:  Gati Krushna Panigrahi; Neeraj Verma; Nivedita Singh; Somya Asthana; Shailendra K Gupta; Anurag Tripathi; Mukul Das
Journal:  Toxicol Rep       Date:  2018-01-03

Review 2.  Community effort endorsing multiscale modelling, multiscale data science and multiscale computing for systems medicine.

Authors:  Massimiliano Zanin; Ivan Chorbev; Blaz Stres; Egils Stalidzans; Julio Vera; Paolo Tieri; Filippo Castiglione; Derek Groen; Huiru Zheng; Jan Baumbach; Johannes A Schmid; José Basilio; Peter Klimek; Nataša Debeljak; Damjana Rozman; Harald H H W Schmidt
Journal:  Brief Bioinform       Date:  2019-05-21       Impact factor: 11.622

  2 in total

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