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An in-silico approach to target Coronviruses nsp14 and nsp15
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| 8.22 MB | Adobe PDF |
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"Nowadays, the absence of proper treatment for COVID-19 is still an issue to tackle since there
are many of new cases and deaths occurring every day. Several ideas are being studied to compromise
the virus’ replication cycle, like targeting the Spike protein that is the mediator of recognition between
SARS-CoV-2 and human cells, or the RNA polymerase of the replication and transcription complex of
the virus. There are, however, several other possible proteins to target, which are the main focus of this
work. The non-structural proteins 14 and 15, also belonging to the replication and transcription complex
of the virus, have important functions for the viral replication cycle since non-structural protein 14’s
ExoN domain has an exoribonuclease activity and non-structural protein 15 an endoribonuclease activ-
ity, both governing the viral proofreading mechanism. In this work, an in-silico approach is applied with
the use of methodologies like Molecular Docking and Molecular Dynamics in an attempt to target and
inhibit both of these proteins. (...)"
Descrição
Palavras-chave
COVID-19 Molecular Dynam- ics Non-structural Proteins Inhibitors Proofreading, Molecular Docking