
| 10.3390/pharmaceutics13040488
http://scihub22266oqcxt.onion/10.3390/pharmaceutics13040488
 33918313!8066156!33918313
free
free
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Pharmaceutics 2021 ; 13 (4): � Nephropedia Template TP
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A COVID-19 Drug Repurposing Strategy through Quantitative Homological Similarities Using a Topological Data Analysis-Based Framework #MMPMID33918313Perez-Moraga R; Fores-Martos J; Suay-Garcia B; Duval JL; Falco A; Climent JPharmaceutics 2021[Apr]; 13 (4): � PMID33918313show ga
Since its emergence in March 2020, the SARS-CoV-2 global pandemic has produced more than 116 million cases and 2.5 million deaths worldwide. Despite the enormous efforts carried out by the scientific community, no effective treatments have been developed to date. We applied a novel computational pipeline aimed to accelerate the process of identifying drug repurposing candidates which allows us to compare three-dimensional protein structures. Its use in conjunction with two in silico validation strategies (molecular docking and transcriptomic analyses) allowed us to identify a set of potential drug repurposing candidates targeting three viral proteins (3CL viral protease, NSP15 endoribonuclease, and NSP12 RNA-dependent RNA polymerase), which included rutin, dexamethasone, and vemurafenib. This is the first time that a topological data analysis (TDA)-based strategy has been used to compare a massive number of protein structures with the final objective of performing drug repurposing to treat SARS-CoV-2 infection.�
  
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