SARSCoV protease inhibitors design using virtual screening method from natural products libraries

B Liu, J Zhou - Journal of computational chemistry, 2005 - Wiley Online Library
… the SARS coronavirus (SARS-CoV) proteinase. His findings may help scientists to design
SARS … De Groot4 also believed that there were some similarities between SARS-CoV and HIV. …

Putative inhibitors of SARS-CoV-2 main protease from a library of marine natural products: a virtual screening and molecular modeling study

D Gentile, V Patamia, A Scala, MT Sciortino, A Piperno… - Marine drugs, 2020 - mdpi.com
… Our work aims to perform a virtual screening against the SARS-CoV-2 M pro binding site
using the library of Marine Natural Products (MNP). Many MNP have been detected as having …

Nature as a treasure trove of potential anti-SARS-CoV drug leads: a structural/mechanistic rationale

AM Sayed, AR Khattab, AM AboulMagd, HM Hassan… - RSC …, 2020 - pubs.rsc.org
… Furthermore, we carried out an in silico exploration of a library of phenolic natural products
(496 compounds) via a computer-aided virtual screening against the active site of the …

Putative SARS-CoV-2 Mpro Inhibitors from an In-House Library of Natural and Nature-Inspired Products: A Virtual Screening and Molecular Docking Study

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 …

Virtual screening of natural products inspired in-house library to discover potential lead molecules against the SARS-CoV-2 main protease

A Garg, N Goel, N Abhinav, T Varma… - Journal of …, 2023 - Taylor & Francis
… 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 …

Inhibition of SARSCoV 3C‐like protease activity by Theaflavin‐3, 3′‐digallate (TF3)

CN Chen, CPC Lin, KK Huang… - Evidence‐Based …, 2005 - Wiley Online Library
… of SARS-CoV in infected host cells. In this study, we screened a natural product library consisting
… Two compounds in the library were found to be inhibitive: tannic acid (IC50 3 M) and 3-…

Structure-based screening of natural product libraries in search of potential antiviral drug-leads as first-line treatment to COVID-19 infection

SJA Rao, NP Shetty - Microbial Pathogenesis, 2022 - Elsevier
… The study focuses on identifying and screening natural products (NPs) … natural product
libraries, consisting of 26,311 structures, were screened against potential targets of SARS-CoV-2 …

In silico and in vitro identification of pan-coronaviral main protease inhibitors from a large natural product library

N Shahhamzehei, S Abdelfatah, T Efferth - Pharmaceuticals, 2022 - mdpi.com
… ZINC natural-product-like library and 32 hits from the antiviral natural product library were
selected on the basis of their lowest PyRx-based binding energies to SARS-CoV-2 M pro . …

Discovery of Diverse Natural Products as Inhibitors of SARS-CoV-2 Mpro Protease through Virtual Screening

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 …

Affinity selection‐mass spectrometry in the discovery of anti‐SARSCoV‐2 compounds

RB van Breemen, RN Muchiri - Mass Spectrometry Reviews, 2024 - Wiley Online Library
… laboratories to find natural product inhibitors of SARS-CoV-2 infection and replication. …
as pools of combinatorial libraries or extracts containing complex natural product mixtures (Figure …