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Simulation of PD (Sigmoid Emax) for Partial Agonist

Partial agonist PD Simulation

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#1 raghava choudary

raghava choudary

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Posted 17 December 2014 - 09:17 AM

Dear All,


How to Simulate PD for a partial agonist from rat to human by sigmoid Emax model


For e.g the PD parameters of a compound in rat (from in vivo receptor occupancy) are as follows:


Emax = 55 %

EC50 = 30 nM

Gamma = 0.8


Now considering there is no species difference between rat and human in potency (i.e EC50 is same in rat and human) what Emax and Gamma should be considered in simulating the PD in human.


On the other hand, if the compound has different Emax (from in vitro assay) i.e Emax = 75 % against rat receptor, Emax = 35 % against human receptor and in simulatiing the PD in human what Emax / Gamma values need to be considered.


Please guide / suggest me literature/ concepts of simulation in partial agonist !!


Thanks in advance...






Also tagged with one or more of these keywords: Partial agonist, PD, Simulation

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