MPO about drug discovery

I have question about MPO multi-parameter optimisation in drug discovery.
My opinion is that designed molecule’s biological activity and ADMET profile are not always correlate.
So, to design molecules that has good profile, I think it is important to get data about molecules not only biological activity but also phys-chem and ADMET profile even if a molecule does not have high potency about primary target.

Water-flall cascade system, for example check biological activity at first, then check in vitro phy-schem, and ADMET profile, next in vivo PK….. works good for filter low potency molecules but we lost chance to get any molecular property information. And also need more time I think.

I proposed parallel approach that check biological activity and HTS PADMET data at the same time.
Is that system waste of resources ?

I know it’s difficult to do MPO in drug discovery, but we have to do that.
I’m still finding the answer….
Hmm…

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Published by iwatobipen

I'm medicinal chemist in mid size of pharmaceutical company. I love chemoinfo, cording, organic synthesis, my family.

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