Drug Design

Targeted covalent inhibitors (TCIs) first form a noncovalent complex with the target protein and then form a covalent bond with a specific amino acid residue near the binding pocket. Their development focuses on increasing target occupancy and duration of action while controlling warhead ...

A large part of medicinal chemistry optimization is really “local part replacement”: instead of rebuilding the scaffold from scratch, you swap an aromatic ring/heteroaromatic ring for a functional module with a more suitable hydrogen-bonding fingerprint, more controllable polarity, and more ...