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Deprecated: Implicit conversion from float 231.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Sci+Rep 2021 ; 11 (1): 11049 Nephropedia Template TP
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A method for the rational selection of drug repurposing candidates from multimodal knowledge harmonization #MMPMID34040048
Schultz B; Zaliani A; Ebeling C; Reinshagen J; Bojkova D; Lage-Rupprecht V; Karki R; Lukassen S; Gadiya Y; Ravindra NG; Das S; Baksi S; Domingo-Fernandez D; Lentzen M; Strivens M; Raschka T; Cinatl J; DeLong LN; Gribbon P; Geisslinger G; Ciesek S; van Dijk D; Gardner S; Kodamullil AT; Frohlich H; Peitsch M; Jacobs M; Hoeng J; Eils R; Claussen C; Hofmann-Apitius M
Sci Rep 2021[May]; 11 (1): 11049 PMID34040048show ga
The SARS-CoV-2 pandemic has challenged researchers at a global scale. The scientific community's massive response has resulted in a flood of experiments, analyses, hypotheses, and publications, especially in the field of drug repurposing. However, many of the proposed therapeutic compounds obtained from SARS-CoV-2 specific assays are not in agreement and thus demonstrate the need for a singular source of COVID-19 related information from which a rational selection of drug repurposing candidates can be made. In this paper, we present the COVID-19 PHARMACOME, a comprehensive drug-target-mechanism graph generated from a compilation of 10 separate disease maps and sources of experimental data focused on SARS-CoV-2/COVID-19 pathophysiology. By applying our systematic approach, we were able to predict the synergistic effect of specific drug pairs, such as Remdesivir and Thioguanosine or Nelfinavir and Raloxifene, on SARS-CoV-2 infection. Experimental validation of our results demonstrate that our graph can be used to not only explore the involved mechanistic pathways, but also to identify novel combinations of drug repurposing candidates.