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Drug Research Meets Network Science: Where Are We?

ABSTRACT: Network theory provides one of the most potent analysis tools for the study of complex systems. In this paper, we illustrate the network-based perspective in drug research and how it is coherent with the new paradigm of drug discovery. We first present data sources from which networks are built, then show some examples of how the networks can be used to investigate drug-related systems. A section is devoted to network-based inference applications, i.e., prediction methods based on interactomes, that can be used to identify putative drug-target interactions without resorting to 3D modeling. Finally, we present some aspects of Boolean networks dynamics, anticipating that it might become a very potent modeling framework to develop in silico screening protocols able to simulate phenotypic screening experiments. We conclude that network applications integrated with machine learning and 3D modeling methods will become an indispensable tool for computational drug discovery in the next years.

SUBMITTER: Recanatini M

PROVIDER: S-EPMC8007104 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Project description:Collaborative networks are of great value for science and technology (S&T) institutions as a way of sharing, generating and disseminating new knowledge that could ultimately lead to innovations. Driven by the need to assess the contribution and effectiveness of these networks in informing S&T management, we explored the evolution and dynamics of tuberculosis scientific networks involving the Oswaldo Cruz Foundation (Fiocruz), the major public health S&T Institution in Brazil. Social network analysis (SNA) was used to produce a 10-year (2005-2009, 2010-2014) retrospective longitudinal mapping of Brazilian tuberculosis research networks within the country and internationally, highlighting Fiocruz collaborations. Co-authorship analysis showed a significant expansion of collaboration in Brazil and the role of Fiocruz and other leading national institutions in maintaining connectivity, facilitating knowledge exchange and reducing network vulnerability. It also identified influential researchers that can act as information leaders and support strategic decisions. When we focused on networks inside the institution, the analysis showed a clear discontinuation between the clinical and the public health research areas, which needs specific internal policies to improve collaborations since outcomes in TB are expected to provide better diagnostic tools and more effective treatments. The approach provides evidence to support S&T management by pinpointing: key central institutions maintaining network connectivity; most influential researchers that can act as advisors/experts for investment and induction policies; key Fiocruz researchers that could improve information exchange, systems integration and innovation within the institution; opportunities for synergy between internal research groups working in complementary areas. In summary, we observed that SNA parameters proved to be a valuable tool that, along with other indicators, can strengthen knowledge platforms to support S&T management efforts.

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Drug Research Meets Network Science: Where Are We?

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