Structure Activity of β-Amidomethyl Vinyl Sulfones as Covalent Inhibitors of Chikungunya nsP2 Cysteine Protease with Antialphavirus Activity

A Ghoshal, KH Asressu, MA Hossain… - Journal of Medicinal …, 2024 - ACS Publications
Despite their widespread impact on human health, there are no approved drugs for
combating alphavirus infections. The heterocyclic β-aminomethyl vinyl sulfone RA-0002034 …

High-Throughput SFC-MS/MS Method to Measure EPSA and Predict Human Permeability

YT Wang, E Price, M Feng, J Hulen… - Journal of Medicinal …, 2024 - ACS Publications
Permeability is a key factor driving the absorption of orally administered drugs. In early
discovery, the efficient evaluation of permeability, particularly for compounds violating …

Exploring the Potential of Adaptive, Local Machine Learning in Comparison to the Prediction Performance of Global Models: A Case Study from Bayer's Caco-2 …

FF Steinbauer, T Lehr, A Reichel - Journal of Chemical …, 2024 - ACS Publications
Machine learning (ML) techniques are being widely implemented to fill the gap in simple
molecular design guidelines for newer therapeutic modalities in the extended and beyond …

Structure Activity of β-Amidomethyl Vinyl Sulfones as Covalent Inhibitors of Chikungunya nsP2 Cysteine Protease with Anti-alphavirus Activity

A Ghoshal, KH Asressu, MA Hossain, PJ Brown… - bioRxiv, 2024 - biorxiv.org
Despite their widespread impact on human health there are no approved drugs for
combating alphavirus infections. The heterocyclic β-aminomethyl vinyl sulfone RA-0002034 …