Binding kinetics with PK simulation

How do binding kinetics affect occupancy when the ligand concentration is changing over time? You can explore this with these free Excel-based simulators, without the need to learn how to use sophisticated software.

Currently the value of binding kinetics to drug discovery is a topic of debate. Specifically, how do binding kinetics affect occupancy when the ligand concentration is changing over time?

We have developed Excel-based simulators to enable you to explore this yourselves, without the need to learn how to use sophisticated software.

Free basic models below, and custom builds available on request. Contact sam.hoare@pharmechanics.com for more information.

Related

Resources

Introduction & User Manual

Binding kinetics with PK simulations

Simulate how binding kinetics and pharmacokinetics intersect to define target engagement, using Excel

Files

IV dosing simulator

IV dosing PK binding kinetic simulator

Files

Oral dosing simulator

Oral dosing PK binding kinetic simulator

Files

Repeat oral dosing simulator

Repeat oral dosing PK binding kinetic simulator

Files

With endogenous ligand simulator

Fluctuating endogenous ligand binding kinetic simulator

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Why Choose Pharmechanics?

Pharmechanics was founded by Dr Sam Hoare in 2017, with the goal of helping pharmacologists analyze, interpret and apply their data to accelerate drug discovery and basic research on drug targets. See testimonials here to see how I can support your science.

Sam is a globally-recognized expert on industrial, applied and theoretical pharmacology. As Lead Pharmacologist at Neurocrine Biosciences, his leadership, experience and insights were instrumental in the pharmacological optimization of three novel FDA-approved therapeutics, and several more compounds in clinical development.

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