… Our work aims to perform a virtual screening against the SARS-CoV-2 M pro binding site using the library of Marine NaturalProducts (MNP). Many MNP have been detected as having …
… Furthermore, we carried out an in silico exploration of a library of phenolic naturalproducts (496 compounds) via a computer-aided virtual screening against the active site of the …
S Mazzini, L Musso, S Dallavalle, R Artali - Molecules, 2020 - mdpi.com
… to test our in-house library of natural compounds and synthetic analogs (isolated or prepared by our research group) on the SARS-CoV-2 M pro target. This library consists of more than …
… against SARS-CoV-2 remains elusive. One of the most promising targets for combating COVID-19 is SARS-CoV-2 … In this work, an in-house curated library was thoroughly evaluated for …
… of SARS-CoV in infected host cells. In this study, we screened a naturalproductlibrary consisting … Two compounds in the library were found to be inhibitive: tannic acid (IC50 3 M) and 3-…
… The study focuses on identifying and screening naturalproducts (NPs) … naturalproduct libraries, consisting of 26,311 structures, were screened against potential targets of SARS-CoV-2 …
… ZINC natural-product-like library and 32 hits from the antiviral naturalproductlibrary were selected on the basis of their lowest PyRx-based binding energies to SARS-CoV-2 M pro . …
J Rubio-Martínez, A Jiménez-Alesanco… - Journal of chemical …, 2021 - ACS Publications
… screen for large libraries of compounds. The purpose of this work was to carry out virtual screening of the Selleck library of Natural Compounds using the M pro protease of SARS-CoV-2 …
… laboratories to find naturalproduct inhibitors of SARS-CoV-2 infection and replication. … as pools of combinatorial libraries or extracts containing complex naturalproduct mixtures (Figure …