DrugBank

OCTOBER 17, 2024

Data Science in Lead Optimization and Drug Design Data science accelerates the lead optimization and drug design process, transforming how molecules are engineered for therapeutic applications. 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

Using the structure properties of existing TEADs – which proved to be ideal in terms of pocket size and shape cavity – the Chemistry42 engine created a novel scaffold that was used as the basis for a number of possible inhibitors. The novel molecules were further ranked based on their ADME and selectivity profiles.

Metabolic Stability 92

Metabolic Stability Clinical Trials Small Molecule Pharmacokinetics 92

Drug Target Review

JANUARY 16, 2025

11 Macrocycles can also be engineered in other ways to become more cell permeable; for example, by incorporating N-methyl groups in macrocyclic peptides. Cyclic Peptide Design, Chapter 2: Strategies to Enhance Metabolic Stabilities. Cyclic peptides in pipeline: What future for these great molecules? Springer, 2019.

Drug Development 52

Drug Development Small Molecule Drugs FDA Approval 52