Fragment-to-Lead Medicinal Chemistry Publications in 2022
AJ Woodhead, DA Erlanson, IJP de Esch… - Journal of medicinal …, 2024 - ACS Publications
This Perspective is the eighth in an annual series that summarizes successful fragment-to-
lead (F2L) case studies published each year. A tabulated summary of relevant articles …
lead (F2L) case studies published each year. A tabulated summary of relevant articles …
Crystal structure of the CoV-Y domain of SARS-CoV-2 nonstructural protein 3
Y Li, Y Pustovalova, W Shi, O Gorbatyuk… - Scientific Reports, 2023 - nature.com
Replication of the coronavirus genome starts with the formation of viral RNA-containing
double-membrane vesicles (DMV) following viral entry into the host cell. The multi-domain …
double-membrane vesicles (DMV) following viral entry into the host cell. The multi-domain …
The future of integrated structural biology
Summary Instruct-ERIC," the European Research Infrastructure Consortium for Structural
biology research," is a pan-European distributed research infrastructure making high-end …
biology research," is a pan-European distributed research infrastructure making high-end …
Korupensamine A, but not its atropisomer, korupensamine B, inhibits SARS-CoV-2 in vitro by targeting its main protease (Mpro)
By combining docking and molecular dynamics simulations, we explored a library of 65
mostly axially chiral naphthylisoquinoline alkaloids and their analogues, with most different …
mostly axially chiral naphthylisoquinoline alkaloids and their analogues, with most different …
A core network in the SARS-CoV-2 nucleocapsid NTD mediates structural integrity and selective RNA-binding
K Dhamotharan, SM Korn, A Wacker… - Nature …, 2024 - nature.com
The SARS-CoV-2 nucleocapsid protein is indispensable for viral RNA genome processing.
Although the N-terminal domain (NTD) is suggested to mediate specific RNA-interactions …
Although the N-terminal domain (NTD) is suggested to mediate specific RNA-interactions …
NMR 1 H, 19 F-based screening of the four stem-looped structure 5_SL1–SL4 located in the 5′-untranslated region of SARS-CoV 2 RNA
D Hymon, J Martins, C Richter, S Sreeramulu… - RSC Medicinal …, 2024 - pubs.rsc.org
Development of new antiviral medication against the beta-coronavirus SARS-CoV-2
(SCoV2) is actively being pursued. Both NMR spectroscopy and crystallography as …
(SCoV2) is actively being pursued. Both NMR spectroscopy and crystallography as …
The COVID19‐NMR Consortium: A Public Report on the Impact of this New Global Collaboration
The outbreak of COVID‐19 in December 2019 required the formation of international
consortia for a coordinated scientific effort to understand and combat the virus. In this …
consortia for a coordinated scientific effort to understand and combat the virus. In this …
Targeting the Main Protease (Mpro, nsp5) by Growth of Fragment Scaffolds Exploiting Structure-Based Methodologies
N Altincekic, N Jores, F Löhr, C Richter… - ACS Chemical …, 2024 - ACS Publications
The main protease Mpro, nsp5, of SARS-CoV-2 (SCoV2) is one of its most attractive drug
targets. Here, we report primary screening data using nuclear magnetic resonance …
targets. Here, we report primary screening data using nuclear magnetic resonance …
NMR characterization and ligand binding site of the stem–loop 2 motif from the Delta variant of SARS-CoV-2
T Matzel, MW Martin, A Herr, A Wacker, C Richter… - RNA, 2024 - rnajournal.cshlp.org
The stem–loop 2 motif (s2m) in SARS-CoV-2 (SCoV-2) is located in the 3′-UTR. Although
s2m has been reported to display characteristics of a mobile genomic element that might …
s2m has been reported to display characteristics of a mobile genomic element that might …
Alpha-helices as alignment reporters in residual dipolar coupling analysis of proteins
Inclusion of residual dipolar couplings (RDCs) during the early rounds of protein structure
determination requires use of a floating alignment tensor or knowledge of the alignment …
determination requires use of a floating alignment tensor or knowledge of the alignment …