Identification and validation of fusidic acid and flufenamic acid as inhibitors of SARS-CoV-2 replication using DrugSolver CavitomiX
M Hetmann, C Langner, V Durmaz, M Cespugli… - Scientific Reports, 2023 - nature.com
In this work, we present DrugSolver CavitomiX, a novel computational pipeline for drug
repurposing and identifying ligands and inhibitors of target enzymes. The pipeline is based …
repurposing and identifying ligands and inhibitors of target enzymes. The pipeline is based …
A comprehensive study of SARS-CoV-2 main protease (Mpro) inhibitor-resistant mutants selected in a VSV-based system
F Costacurta, A Dodaro, D Bante, H Schöppe… - PLoS …, 2024 - journals.plos.org
Nirmatrelvir was the first protease inhibitor specifically developed against the SARS-CoV-2
main protease (3CLpro/Mpro) and licensed for clinical use. As SARS-CoV-2 continues to …
main protease (3CLpro/Mpro) and licensed for clinical use. As SARS-CoV-2 continues to …
In Silico and In Vitro Evaluation of Some Amidine Derivatives as Hit Compounds towards Development of Inhibitors against Coronavirus Diseases
AHE Hassan, SM El-Sayed, M Yamamoto, J Gohda… - Viruses, 2023 - mdpi.com
Coronaviruses, including SARS-CoV-2, SARS-CoV, MERS-CoV and influenza A virus,
require the host proteases to mediate viral entry into cells. Rather than targeting the …
require the host proteases to mediate viral entry into cells. Rather than targeting the …
[HTML][HTML] Mechanistic Insights into the Mutational Landscape of the Main Protease/3CLPro and Its Impact on Long-Term COVID-19/SARS-CoV-2 Management
AGA Mushebenge, SC Ugbaja, NN Magwaza… - Future …, 2024 - mdpi.com
The main proteinase (Mpro), or 3CLpro, is a critical enzyme in the severe acute respiratory
syndrome coronavirus 2 (SARS-CoV-2) lifecycle and is responsible for breaking down and …
syndrome coronavirus 2 (SARS-CoV-2) lifecycle and is responsible for breaking down and …
SARS-CoV-2 resistance analyses from the Phase 3 PINETREE study of remdesivir treatment in nonhospitalized participants
L Rodriguez, HW Lee, J Li, R Martin… - Antimicrobial Agents …, 2024 - journals.asm.org
Remdesivir inhibits the SARS-CoV-2 RNA-dependent RNA polymerase (RdRp; Nsp12).
Here, we conducted viral resistance analyses from the Phase 3 PINETREE trial of remdesivir …
Here, we conducted viral resistance analyses from the Phase 3 PINETREE trial of remdesivir …
High-Resolution Substrate Specificity Profiling of SARS-CoV-2 Mpro; Comparison to SARS-CoV Mpro
The SARS-CoV-2 Mpro protease from COVID-19 cleaves the pp1a and pp2b polyproteins at
11 sites during viral maturation and is the target of Nirmatrelvir, one of the two components …
11 sites during viral maturation and is the target of Nirmatrelvir, one of the two components …
An Investigation of Nirmatrelvir (Paxlovid) Resistance in SARS-CoV-2 Mpro
The high throughput YESS 2.0 platform was used to screen a large library of SARS-CoV-2
Mpro variants in the presence of nirmatrelvir. Of the 100 individual most prevalent mutations …
Mpro variants in the presence of nirmatrelvir. Of the 100 individual most prevalent mutations …
[HTML][HTML] CavitOmiX Drug Discovery: Engineering Antivirals with Enhanced Spectrum and Reduced Side Effects for Arboviral Diseases
L Parigger, A Krassnigg, M Hetmann, A Hofmann… - Viruses, 2024 - mdpi.com
Advancing climate change increases the risk of future infectious disease outbreaks,
particularly of zoonotic diseases, by affecting the abundance and spread of viral vectors …
particularly of zoonotic diseases, by affecting the abundance and spread of viral vectors …
AI-assisted structural consensus-proteome prediction of human monkeypox viruses isolated within a year after the 2022 multi-country outbreak
L Parigger, A Krassnigg, S Grabuschnig… - Microbiology …, 2023 - Am Soc Microbiol
The monkeypox virus (MPX) belongs to the Orthopoxvirus genus of the Poxviridae family, is
endemic in parts of Africa and causes a disease in humans similar to smallpox. The most …
endemic in parts of Africa and causes a disease in humans similar to smallpox. The most …