Metabolic Stability Research Small Molecule 
DrugBank
OCTOBER 17, 2024
By utilizing high-resolution protein structures obtained through X-ray crystallography, researchers could design small molecules that potently inhibit the SARS-CoV-2 main protease, a key enzyme essential for viral replication. These complex molecules require precise engineering to ensure optimal efficacy and safety.
Drug Target Review
JUNE 12, 2023
Leveraging AI-guided structure-based drug design, Insilico’s research and development team generated an impressive portfolio of over 6,000 molecules and identified three highly promising hit series. The novel molecules were further ranked based on their ADME and selectivity profiles.
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Metabolite Tales Blog
MAY 12, 2023
In 2022, fewer of the 19 newly FDA approved small molecule drugs contained F atoms (adagrasib, lenacapavir, oteseconazole, vonoprazan), but this was followed by 3 more approvals of F-containing drugs in the first quarter of 2023 alone (pirtobrutinib, omaveloxolone, leniolisib). Amaya, Rebecca Durandis, David S. Bourgeois, James A.
Metabolite Tales Blog
DECEMBER 13, 2023
N -glucuronidation: the human element By Julia Shanu-Wilson In our last blog of the year, we look at why N -glucuronidation of drugs is important in human drug metabolism. Glucuronidation is the most common phase II reaction observed in the metabolism of drugs in humans. Xuan Qin, Yong Wang, Kevin R. MacKenzie, John M. Khalil et al.(2023).
Practical Cheminformatics
JANUARY 2, 2024
The papers covered here reflect my research interests and biases, and I’ve certainly overlooked areas that others consider vital. In a brief section entitled “Predicting Protein-Small Molecule Complexes”, the authors mention their efforts to generate structures of bound non-covalent and covalent small molecule ligands.
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