A Novel Class of SARS-CoV-2 Mpro Inhibitors: Systematic Design, Synthesis, Biological Evaluation, Antiviral Activity, and Structural Insights

webinar

Thu, 25 Apr 2024, 16:00 CEST (Berlin)

Dr. Thanigaimalai Pillaiyar, University of Tübingen/Tübingen Center for Academic Drug Discovery, Germany

A Novel Class of SARS-CoV-2 Mpro Inhibitors: Systematic Design, Synthesis, Biological Evaluation, Antiviral Activity, and Structural Insights

COVID-19 is shifting from pandemic to endemic, but the etiological agent, SARS-CoV-2[1], is still spreading and causing public health issues around the world. The emergence of new variants that have multiple mutations in the spike protein partially leads to evade neutralization by antibodies in vaccinated and convalescent individuals. Especially the currently circulating viruses belonging to the “Omicron” subvariants, such as EG.5.1 (Eris) and BA.2.86 (Pirola). This raises awareness of the necessity to develop broadly acting antivirals for the current as well as for future virus outbreaks.

In this BioSolveIT Webinar, Thanigaimalai will report on the development of next-generation, broadly acting antiviral agents that are potent and selective SARS-CoV-2 main protease (Mpro) inhibitors. Mpro is an attractive target in coronaviruses because of its essential role in viral replication and transcription.[2,3] The compounds display potent in vitro antiviral activity against not only the wild-type SARS-CoV-2 but also its variants, including Omicron and BA.2.86, and other highly pathogenic human CoVs such as SARS-CoV-1 and MERS-CoV. Selected compounds possess favorable PK properties and exhibit sensitivity to several nirmatrelvir-resistance mutations, suggesting potential application for the treatment of a broader spectrum of coronavirus infections.

Join this highly informative webinar with the winner of the “Innovation Award for Medicinal/Pharmaceutical Chemistry 2024” from the Division of Medicinal Chemistry of the German Chemical Society (GDCh) together with the Pharmaceutical/Medicinal Chemistry Division of the German Pharmaceutical Society (DPhG).

 

[1] T. Pillaiyar, et al. Med. Res. Rev. 2021, 41, 72-135.

[2] C. Huang, et al. Sig. Transduct. Target. Ther. 2023, 128.

[3] Breidenbach, J.; Lemke, C.; Pillaiyar, T. et al. Angew. Chem. 2021, 133, 10515-10521.

Current news

Behind the Scenes of Enamine's REAL Space
April 15, 2024 16:43 CEST
Since its launch in 2018, Enamine’s REAL Space has made a significant impact in revolutionizing the landscape of compound collections. The initial version contained approximately 650 million compounds, establishing itself as one of the expansive catalogs of commercially available molecules for drug discovery. Notably, the first release rivaled even the...
Read on
category
Challenge
Martin Schwalm Emerges as Winner of Scientific Challenge Spring 2023
March 15, 2024 14:44 CET
The Scientific Challenge Spring 2023 comes to a conclusion: Martin Schwalm from the University of Frankfurt wins with his project “Identifying Binders to Hijack the Autophagy System for Targeted Protein Degradation”! The study aimed to identify binders for the LC3A protein’s hydrophobic binding site, a crucial target for drug discovery...
Read on
category
Software
Chemical Space Nagivation CLI Tool Updates
March 12, 2024 15:14 CET
Alongside infiniSee 6 ‘Echo’ we release updates to our command line tools that explore and create Chemical Spaces. Computational and tech-savvy medicinal chemists receive several powerful augmentations to the software; these help fine-tuning search parameters to perform even more efficient screening campaigns. New to those features are the new SMARTS...
Read on