DrugBank

OCTOBER 17, 2024

Data science has emerged as an innovative tool in the biopharmaceutical industry, leveraging the power of machine learning and artificial intelligence to drive innovation and efficiency across the entire drug development lifecycle.

Drug Development 63

Drug Development Metabolic Stability Clinical Trials Drugs 63

Drug Target Review

JUNE 12, 2023

This molecule shows immense potential as a pan-TEAD inhibitor, targeting advanced solid tumours. TEAD proteins are crucial for tumour progression and drug resistance, making them an attractive focus for therapeutic interventions. 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

MAY 12, 2023

Breaking C-F bonds in drugs – metabolism mediated release of fluorine By Samuel Coe and Julia Shanu-Wilson Lenacapavir, recently approved for multi-drug resistant HIV-1 infection, contains 10 fluorine atoms. Increasingly used in drug design, some drug structures are now bristling with fluorine atoms.

Drugs 52

Drugs Small Molecule Metabolic Stability FDA Approval 52

Metabolite Tales Blog

APRIL 4, 2023

Metabolism of 2022 FDA approved small molecule drugs part 2 Mixing it Up By Julia Shanu-Wilson In Part 1 of this topic we looked at metabolism of the small molecule drugs approved by the FDA in 2022 that were mediated by CYP3A4.

Small Molecule 52

Small Molecule FDA Approval FDA Drugs 52

Practical Cheminformatics

JANUARY 2, 2024

Review articles 2023 was a bit of a mixed bag for AI in drug discovery. Benchmarking Generated Poses: How Rational is Structure-based Drug Design with Generative Models [link] 1.4 How accurately can one predict drug binding modes using AlphaFold models? Docking, protein structure prediction, and benchmarking II.

Drugs 144

Drugs Packaging Small Molecule Metabolic Stability 144

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.

Small Molecule 59

Small Molecule Metabolic Stability Treatment Pharmacokinetics 59