Sterols and triterpenes: Antiviral potential supported by in-silico analysis

N Hisham Shady, KA Youssif, AM Sayed, L Belbahri… - Plants, 2020 - mdpi.com
The acute respiratory syndrome caused by the novel coronavirus (SARS-CoV-2) caused
severe panic all over the world. The coronavirus (COVID-19) outbreak has already brought …

Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking

M Schuller, GJ Correy, S Gahbauer, D Fearon, T Wu… - Science …, 2021 - science.org
The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) macrodomain within
the nonstructural protein 3 counteracts host-mediated antiviral adenosine diphosphate …

PARPs and ADP-Ribosylation in Chronic Inflammation: A Focus on Macrophages

DV Santinelli-Pestana, E Aikawa, SA Singh, M Aikawa - Pathogens, 2023 - mdpi.com
Aberrant adenosine diphosphate-ribose (ADP)-ribosylation of proteins and nucleic acids is
associated with multiple disease processes such as infections and chronic inflammatory …

Large-scale recombinant production of the SARS-CoV-2 proteome for high-throughput and structural biology applications

N Altincekic, SM Korn, NS Qureshi… - Frontiers in molecular …, 2021 - frontiersin.org
The highly infectious disease COVID-19 caused by the Betacoronavirus SARS-CoV-2 poses
a severe threat to humanity and demands the redirection of scientific efforts and criteria to …

A molecular toolbox for ADP-ribosyl binding proteins

ST Sowa, A Galera-Prat, S Wazir, HI Alanen… - Cell Reports …, 2021 - cell.com
Proteins interacting with ADP-ribosyl groups are often involved in disease-related pathways
or viral infections, making them attractive drug targets. We present a robust and accessible …

DrugDevCovid19: An atlas of anti-COVID-19 compounds derived by computer-aided drug design

Y Liu, J Gan, R Wang, X Yang, Z Xiao, Y Cao - Molecules, 2022 - mdpi.com
Since the outbreak of SARS-CoV-2, numerous compounds against COVID-19 have been
derived by computer-aided drug design (CADD) studies. They are valuable resources for the …

Binding adaptation of GS-441524 diversifies Macro domains and downregulates SARS-CoV-2 de-MARylation capacity

AC Tsika, A Gallo, NK Fourkiotis, AI Argyriou… - Journal of Molecular …, 2022 - Elsevier
Viral infection in cells triggers a cascade of molecular defense mechanisms to maintain host-
cell homoeostasis. One of these mechanisms is ADP-ribosylation, a fundamental post …

Theory and computation of nuclear shielding

T Kupka - 2020 - books.rsc.org
A review of the literature published from January to December 2019 on theoretical aspects
of nuclear magnetic shielding is presented. It covers both non-relativistic and relativistic …

Inter-proteomic posttranslational modifications of the SARS-CoV-2 and the host proteins‒A new frontier

S Mishra, G Bassi, BLG Nyomba - Experimental Biology and …, 2021 - journals.sagepub.com
Posttranslational modification of proteins, which include both the enzymatic alterations of
protein side chains and main-chain peptide bond connectivity, is a fundamental regulatory …

NMR study of macro domains (MDs) from betacoronavirus: backbone resonance assignments of SARS–CoV and MERS–CoV MDs in the free and the ADPr-bound …

AC Tsika, NK Fourkiotis, P Charalampous… - Biomolecular NMR …, 2022 - Springer
Abstract SARS-CoV and MERS-CoV Macro Domains (MDs) exhibit topological and
conformational features that resemble the nsP3b macro (or “X”) domain of SARS-CoV-2 …