id	author	title	date	pages	extension	mime	words	sentences	flesch	summary	cache	txt
cord-307227-x6xketcn	Martin, William R.	Repurposing of FDA-Approved Toremifene to Treat COVID-19 by Blocking the Spike Glycoprotein and NSP14 of SARS-CoV-2	2020-09-10		.txt	text/plain	3999	219	52	Here, we combine homology modeling, molecular docking, molecular dynamics simulation, and binding affinity calculations to determine potential targets for toremifene, a selective estrogen receptor modulator which we have previously identified as a SARS-CoV-2 inhibitor. These results suggest potential structural mechanisms for toremifene by blocking the spike protein and NSP14 of SARS-CoV-2, offering a drug candidate for COVID-19. 2, 3 In our initial network-based drug repurposing study, 4 we identified toremifene, another selective estrogen receptor modulator (SERM), as a strong candidate for the potential treatment of COVID-19. A drug repurposing study for SARS-CoV-1 5 indicated a low 50% effective concentration (EC 50 ) for toremifene, and noted that estrogen signaling may not be involved in the inhibitory pathway, similar to that of inhibition of Ebola. Future work will be needed to confirm these results; optimally, the determination of a cocrystal structure with Journal of Proteome Research pubs.acs.org/jpr Article NSP14 and/or the spike glycoprotein from SARS-CoV-2 with toremifene would be solved.	./cache/cord-307227-x6xketcn.txt	./txt/cord-307227-x6xketcn.txt