Molecular Design

OCTOBER 20, 2024

Previous Next In an earlier post I considered what it might mean to describe drug design as AI-based. In that earlier post I noted that there’s a bit more to drug design than simply generating novel molecular structures and suggesting how the compounds should be synthesized.

Metabolic Stability 84

Metabolic Stability Drugs Pharmaceuticals 84

Molecular Design

MAY 11, 2019

While the Ro5 article highlighted molecular size and lipophilicity as pharmaceutical risk factors, the rule itself is actually of limited utility as a drug design tool. back in 2015 and you may find this review of that seminal contribution to the drug design literature to be informative.

Metabolic Stability 52

Metabolic Stability Pharmacokinetics Pharmaceuticals Drugs 52

Metabolite Tales Blog

MARCH 1, 2023

2 Figure 1 Not only does the carboxylic acid moiety of the infamous drug zomepirac undergo conjugation to an unstable acyl glucuronide, the pyrrole undergoes oxidative metabolism to an epoxide intermediate that can be trapped by glutathione (Figure 2). 2a Figure 2 Also reported are more complex “per-oxidative” oxidations.

Metabolic Stability 52

Metabolic Stability Drugs Pharmacokinetics Science 52