About: In this paper we investigate 10 different HIV protease inhibitors (HPIs) as possible repurposed-drugs candidates against SARS-CoV-2. To this end, we execute molecular docking and molecular dynamics simulations. The in silico data demonstrated that despite their molecular differences, all HPIs presented a similar behavior for the parameters analyzed, with the exception of Nelfinavir that showed better results for most of the molecular dynamics parameters in comparison with the N3 inhibitor.

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About: In this paper we investigate 10 different HIV protease inhibitors (HPIs) as possible repurposed-drugs candidates against SARS-CoV-2. To this end, we execute molecular docking and molecular dynamics simulations. The in silico data demonstrated that despite their molecular differences, all HPIs presented a similar behavior for the parameters analyzed, with the exception of Nelfinavir that showed better results for most of the molecular dynamics parameters in comparison with the N3 inhibitor. Goto Sponge NotDistinct Permalink

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type	abstract
value	In this paper we investigate 10 different HIV protease inhibitors (HPIs) as possible repurposed-drugs candidates against SARS-CoV-2. To this end, we execute molecular docking and molecular dynamics simulations. The in silico data demonstrated that despite their molecular differences, all HPIs presented a similar behavior for the parameters analyzed, with the exception of Nelfinavir that showed better results for most of the molecular dynamics parameters in comparison with the N3 inhibitor.
Subject	Zoonoses COVID-19 Sarbecovirus Chiroptera-borne diseases Infraspecific virus taxa
part of	Molecular dynamics simulation of docking structures of SARS-CoV-2 main protease and HIV protease inhibitors
is abstract of	Molecular dynamics simulation of docking structures of SARS-CoV-2 main protease and HIV protease inhibitors
is hasSource of	covid:ann/target/51f17789f10d0b3593466c390620e31eaaab388b covid:ann/target/02568b2dc62ea4747779f7fd8dafb14d4d77db88 covid:ann/target/4000f1ba039a229d22fe7fb890a0c4b32c1df8f5 covid:ann/target/3361dc1dacf559ecf848e3e0c608164c417dcb41 covid:ann/target/0997aecb401cc0191e0f7fb074402fb9f3c360be covid:ann/target/c974033ae1a2b47d31d921ed7208db9101f2fba9 covid:ann/target/ca44e25e9af11af4f458565c878e813d75260710

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