wavefunction fieldofscience com 2013 09 macrocycle drug revi
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Musings on drug discovery, chemistry and the endless frontier of science.
The Curious Wavefunction
By Wavefunction on Tuesday, September 03, 2013
Macrocycle drug reviewRecommend this on Google
Here's a comprehensive and useful review of macrocycle drugs in J Med Chem by Giordanetto andKihlberg at AstraZeneca; well worth reading to get an idea of what's out there in the clinic and on themarket.
The authors looked at about 30 clinical macrocycle candidates and 70 marketed macrocycle drugs andanalyzed their principal physicochemical properties to investigate trends and differences. Some mainpoints emerging from the discussion:
1. Most macrocycles are in oncology or infection; however, the ones that are targeted toward otherareas include a significant number of de-novo synthetic or semisynthetic molecules from structure-based drug design.2. Among marketed macrocycles, injected drugs are mostly cyclic peptides while oral drugs are mostlymacrolides (in general, injectable macrocycles seem to span a broader chemical space).3. The structural differences between oral and injectable macrocycles can often be pretty trivial (atleast on inspection; eg. tacrolimus vs pimecrolimus).4. For oral macrocycles, increasing MW seems to track with increasing lipophilicity.5. There's a set of plots which indicates the limits of chemical space within which marketedmacrocycles seem to lie. "Rogue" rule-breakers like cyclosporin which lie very far from this space arestill exceptions.
The question of whether we can deliberately engineer drug molecules to act like cyclosporin on a largescale is still very much an open one. What is clear is that we are increasingly making molecules thatare decidedly testing the boundaries of the rule-of-5 and pushing the envelope. The future is not
Ashutosh (Ash) Jogalekar is a scientist working in biotechnology anddrug discovery in Cambridge, MA. He is interested in the history andphilosophy of science. Ash also blogs at The Curious Wavefunction onScientific American Blogs and can be reached at curiouswavefunction"at" gmail "dot" com.
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guaranteed, but it's promising.
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