Network controllability solutions for computational drug repurposing using genetic algorithms
| Autor: | Eugen Czeizler, Victor-Bogdan Popescu, Iulian Nastac, Krishna Kanhaiya, Ion Petre |
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| Jazyk: | angličtina |
| Rok vydání: | 2022 |
| Předmět: |
Prescription Drugs
Computer science Science Distributed computing Antineoplastic Agents Breast Neoplasms Article Control theory Humans Gene Regulatory Networks Molecular Targeted Therapy Protein Interaction Maps Ovarian Neoplasms Multidisciplinary Network topology Drug Repositioning Computational Biology Network controllability Neoplasm Proteins Gene Expression Regulation Neoplastic Pancreatic Neoplasms Drug repositioning ComputingMethodologies_PATTERNRECOGNITION Combination drug therapy Oncology Medicine Female Algorithms |
| Zdroj: | Scientific Reports Scientific Reports, Vol 12, Iss 1, Pp 1-16 (2022) |
| ISSN: | 2045-2322 |
| Popis: | Control theory has seen recently impactful applications in network science, especially in connections with applications in network medicine. A key topic of research is that of finding minimal external interventions that offer control over the dynamics of a given network, a problem known as network controllability. We propose in this article a new solution for this problem based on genetic algorithms. We tailor our solution for applications in computational drug repurposing, seeking to maximize its use of FDA-approved drug targets in a given disease-specific protein-protein interaction network. We show how our algorithm identifies a number of potentially efficient drugs for breast, ovarian, and pancreatic cancer. We demonstrate our algorithm on several benchmark networks from cancer medicine, social networks, electronic circuits, and several random networks with their edges distributed according to the Erdös-Rényi, the scale-free, and the small world properties. Overall, we show that our new algorithm is more efficient in identifying relevant drug targets in a disease network, advancing the computational solutions needed for new therapeutic and drug repurposing approaches. |
| Databáze: | OpenAIRE |
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