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….


Published by iwatobipen

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

One thought on “MPO about drug discovery

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