Pharmsim Simulator Help centre

Pharmasim is a Web Application that capable to simulate and calculate the behaviour of drug in patients body, this informations is vital for a pharmacist to learn. you can easily use this simulator that made for you but remember you must use only for educational purposes.

General Questions

in this section, we answered some highly frequented questions about pharmsim Web Application, before using the Web App its better to read this section

What is ADME?
ADME is a abbreviation in Bio-pharmacy that covers four main events for a drug in the body. this include drug Absorption, Distribution, Metabolism, and Excretion, respectively. With a precise understanding of these four cases, the behaviour of the drug in the body can be easily calculated and even predicted. All computational formulas for determining drug concentrations follow and use this concept.
A simulator is a program or machine that simulates a real-life situation, meaning that it creates a virtual version of it, often for the purpose of instruction or experiment, such as Molecular Docking simulator that simulated receptor and ligand behaviour.
Pharmacokinetics is an important field of study which provides important data on the behaviour of molecules within organisms. By applying pharmacokinetic principles to preclinical trials, safer and more accurate clinical trials can be designed by scientists.
As medicines experts, it is imperative that pharmacists understand pharmacokinetic and pharmacodynamic principles. These principles are used daily in pharmacy practice to ensure effective and safe drug dosing, drug monitoring and identification of potential drug-drug interactions and other adverse drug reactions.
The main difference between pharmacokinetics and pharmacodynamics is that pharmacokinetics (PK) is defined as the movement of drugs through the body, whereas pharmacodynamics (PD) is defined as the body's biological response to drugs.
In simple words, pharmacokinetics is 'what the body does to the drug'. Pharmacodynamics describes the intensity of a drug effect in relation to its concentration in a body fluid, usually at the site of drug action. It can be simplified to 'what the drug does to the body'.
Pharmsim is a web Application based on pharmacokinetics(ADME) principles, that Simulate and predict drug concentration in plasma after administrating dose. there is a long journey to achieve to a level that prediction can be used in clinics, but for now the prediction can use for educational purposes.
We have to pay attention to one thing about predicting the plasma concentration of the drug by the software. Yes, pharmacy is accurate but it calculates based on the data given to it.
But how close are these concentrations to reality? It can be said that this question can not be answered precisely at the present time.
The reason is very clear, and that is the differences in the bodies of different people, genetic differences, nutrition or malnutrition, and so on. All of these factors affect the plasma concentration of the drug but do not interfere with the simulator.
Therefore, the calculated concentration can be very different from the actual concentration created in the body in some cases.
Parts of Simulator

Before using the pharmsim simulator, read this section o know how you can use it better

when you open the simulator window by hyperlink or menu item you will directed to this page, there are tow part in this page. the right side is help center and you can read how to use simulator. the left side of page is a side menu, this is the base of simulator. you can type the data's and see the simulation results.
Types of information that must be given to simulator ?
for simulating the drugs behaviour you must give two type information. first an information about patient and then an information about prescription.
patient information:
  1. Height (cm)
  2. Weight(Kg)
  3. Age (years)
  4. Plasma Creatinine concentration(mg/dl)
  5. Gender (by default set on Male)
Prescription information:
  1. Drug Name(you only can select the drugs that exists in pharmsim database)
  2. Monitoring time (h)-hole time that patient use drug or you want to see drug behaviour in desired time line
  3. Root of Administration
    • Available Roots of Administration:
    • Oral Single Dose
    • Oral Multiple Dose (With Booster Dose)
    • IV Bolus Single Dose
    • IV Bolus Multiple Dose(With Booster Dose)
    • IV Infusion

To calculate single patient, after collecting data from user, there are three type, oral administration, iv bolus and infusion.

Oral administration equation: Cp=(FxkaxDose)/(vd x(ka-ke) x (e-kat - e-ket)

IV bolus administration equation: Cp=(Dose/(vd x ke) x e-ket

Iv Infusion administration equation: Cp= R/(vd x ke) x (1- e-ket)

SPS or single patient simulation is a type of pharmsim simulation that compute plasma concentration or selected drug in one patient. it support three administration root include, oral,bolus and infusion.
MPS or multiple patient simulation is a type of pharmsim simulation that compute plasma concentration or selected drug in up to 5 different patient. it support three administration root include, oral,bolus and infusion. the difference between SPS and MPS is just number of patient. in MPS you can select up to 5 patient that have different information form patient history, even you can select different root and dose. that is for you can compare different patient an situation together.
TDM or therapeutics dose monitoring is the most valuable parts of the simulator, monitoring of drug concentration in patient body specially after change in patient or prescription is vital. in this section you can start simulation like SPS section but after chart was ready you can hover on chart and select a time to change in your information. after that the char will change after selected time. that is great.
CAP or costume ADME plotting, is a section that there ar no drugs information, you must enter your desired pharmacokinetics parameter manually to simulate char as you want.
Simulated Data Analyse Help

in this section you will learn how to use simulated data

Prescription Information
After Simulator run and chart was drawn, some data will be calculated and shown. in the prescription information section you can find information about the dose and other information about patient prescription like drug name, root of administration, interval, number of dose taken and whole simulation time.
in the patient information section you can find information about the patient like patient height, weight, age, gender and plasma creatinine concentration.
in this section you will be noted about selected drug pharmacokinetics parameters that used for simulation like, ke,ka,clearance, volume of distribution, half life
After simulation some calculation will perform to compute a basic information about patient and drug. patient ideal weight, body surface area, body mass index, drug area under curve(AUC) and creatinine clearance are those data.
to inform better about plasma concentration of drug, the minimum, maximum and average drug plasma concentration is calculated for each peak and written on two table.
All references used for calculation is typed at the bottom of page, there are a link on last sentence that you can click and read the article.