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 Development 98

Drug Development Metabolic Stability Clinical Trials Drugs 98

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.

Metabolic Stability 92

Metabolic Stability Clinical Trials Small Molecule Pharmacokinetics 92

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).

Small Molecule 59

Small Molecule Metabolic Stability Treatment Drugs 59

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.

Drugs 52

Drugs Small Molecule FDA Approval Metabolic Stability 52

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.

Drugs 143

Drugs Packaging Small Molecule Metabolic Stability 143

Drug Target Review

JANUARY 16, 2025

Traditionally, drug discovery has focused on small-molecule therapeutics, typically with a molecular weight of less than 500 Daltons. 2 Typically, small-molecule drugs target active sites buried inside proteins. Metabolism was another concern in the early development of macrocyclic peptides.

Drug Development 52

Drug Development Small Molecule Drugs FDA Approval 52