Browse research papers in Drug Discovery - Pharmacology, Toxicology and Pharmaceutics Discover 3 academic papers with AI-powered analysis

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Pharmacology, Toxicology and Pharmaceutics

Drug Discovery

The identification and development of new therapeutic compounds, including target identification, lead optimization, high-throughput screening, and computational drug design

3 papers in this specialization

Paperzilla Papers in Drug Discovery

Identification of a Broad-Spectrum Antiviral Small Molecule against Severe Acute Respiratory Syndrome Coronavirus and Ebola, Hendra, and Nipah Viruses by Using a Novel High-Throughput Screening Assay

This in vitro study identified a small molecule, 5705213, and its derivative that inhibit cathepsin L, a protease essential for SARS, Ebola, Hendra, and Nipah virus entry into host cells. The molecules effectively blocked the entry of pseudoviruses carrying viral glycoproteins into mammalian cells, but further research is needed to determine their effectiveness in vivo.

Heparan sulfate assists SARS-CoV-2 in cell entry and can be targeted by approved drugs in vitro

This in vitro study found that heparan sulfate (HS), a molecule on the cell surface, helps SARS-CoV-2 enter cells. Several existing drugs, including mitoxantrone and a combination of raloxifene and tilorone, were shown to inhibit this HS-assisted viral entry in cell cultures.

SESAME: OPENING THE DOOR TO PROTEIN POCKETS

This paper introduces SESAME, a new AI model that predicts how proteins change shape when binding with drug-like molecules. This could improve virtual drug screening by allowing researchers to use more readily available protein structures, speeding up drug discovery.