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A COVID-19 Drug Repurposing Strategy through Quantitative Homological Similarities Using a Topological Data Analysis-Based Framework

Drug Repurposing for COVID-19 Treatment by Integrating Network Pharmacology and Transcriptomics

Laboratory of Molecular and Statistical Genetics, College of Life Sciences, Hunan Normal University, Changsha 410081, China
Center for System Biology, Data Sciences, and Reproductive Health, School of Basic Medical Science, Central South University, Changsha 410013, China
Tulane Center of Biomedical Informatics and Genomics, Deming Department of Medicine, Tulane University School of Medicine, New Orleans, LA 70112, USA
Authors to whom correspondence should be addressed.
Academic Editors: Lucreția Udrescu, Ludovic Kurunczi, Paul Bogdan and Mihai Udrescu
Pharmaceutics 2021, 13(4), 545;
Received: 10 February 2021 / Revised: 25 March 2021 / Accepted: 26 March 2021 / Published: 14 April 2021
(This article belongs to the Special Issue In Silico Strategies for Prospective Drug Repositionings)
Since coronavirus disease 2019 (COVID-19) is a serious new worldwide public health crisis with significant morbidity and mortality, effective therapeutic treatments are urgently needed. Drug repurposing is an efficient and cost-effective strategy with minimum risk for identifying novel potential treatment options by repositioning therapies that were previously approved for other clinical outcomes. Here, we used an integrated network-based pharmacologic and transcriptomic approach to screen drug candidates novel for COVID-19 treatment. Network-based proximity scores were calculated to identify the drug–disease pharmacological effect between drug–target relationship modules and COVID-19 related genes. Gene set enrichment analysis (GSEA) was then performed to determine whether drug candidates influence the expression of COVID-19 related genes and examine the sensitivity of the repurposing drug treatment to peripheral immune cell types. Moreover, we used the complementary exposure model to recommend potential synergistic drug combinations. We identified 18 individual drug candidates including nicardipine, orantinib, tipifarnib and promethazine which have not previously been proposed as possible treatments for COVID-19. Additionally, 30 synergistic drug pairs were ultimately recommended including fostamatinib plus tretinoin and orantinib plus valproic acid. Differential expression genes of most repurposing drugs were enriched significantly in B cells. The findings may potentially accelerate the discovery and establishment of an effective therapeutic treatment plan for COVID-19 patients. View Full-Text
Keywords: SARS-CoV-2; COVID-19; drug repurposing; network-based pharmacology SARS-CoV-2; COVID-19; drug repurposing; network-based pharmacology
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MDPI and ACS Style

Liu, D.-Y.; Liu, J.-C.; Liang, S.; Meng, X.-H.; Greenbaum, J.; Xiao, H.-M.; Tan, L.-J.; Deng, H.-W. Drug Repurposing for COVID-19 Treatment by Integrating Network Pharmacology and Transcriptomics. Pharmaceutics 2021, 13, 545.

AMA Style

Liu D-Y, Liu J-C, Liang S, Meng X-H, Greenbaum J, Xiao H-M, Tan L-J, Deng H-W. Drug Repurposing for COVID-19 Treatment by Integrating Network Pharmacology and Transcriptomics. Pharmaceutics. 2021; 13(4):545.

Chicago/Turabian Style

Liu, Dan-Yang, Jia-Chen Liu, Shuang Liang, Xiang-He Meng, Jonathan Greenbaum, Hong-Mei Xiao, Li-Jun Tan, and Hong-Wen Deng. 2021. "Drug Repurposing for COVID-19 Treatment by Integrating Network Pharmacology and Transcriptomics" Pharmaceutics 13, no. 4: 545.

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