Question: How Can I Calculate Ic50 Values?
3
gravatar for Pratheep
8.3 years ago by
Pratheep130
Pratheep130 wrote:

Hi to all, How to calculate the IC 50? what are the date need for calculation? any online tools there for IC 50 calculation. In drug discovery any other parameters and calculation needed. Advance thanks for your help

drug motif • 16k views
ADD COMMENTlink modified 8.3 years ago by bagdevi.mishra50 • written 8.3 years ago by Pratheep130

Not really a bioinformatics question, closing. See http://en.wikipedia.org/wiki/IC50.

ADD REPLYlink written 8.3 years ago by Neilfws48k
4

Depends on how you define bioinformatics... is bioinformatics just about sequences? not about biology?

ADD REPLYlink written 8.3 years ago by Egon Willighagen5.2k

Some people have tried predicting it but generally its a measureable (i.e. experimental) data point. http://www.ncbi.nlm.nih.gov/pubmed/21733180

ADD REPLYlink written 8.3 years ago by Niallhaslam2.3k
2
gravatar for Rajarshi Guha
8.2 years ago by
Rajarshi Guha880
United States
Rajarshi Guha880 wrote:

You'll need a dose response curve, from which you can calculated IC50's using a variety of free (R, NCGC CurveFit, curve-fit) or proprietrary tools (Prism etc)

ADD COMMENTlink written 8.2 years ago by Rajarshi Guha880
1
gravatar for Egon Willighagen
8.2 years ago by
Maastricht
Egon Willighagen5.2k wrote:

One approach to calculate IC50 values, is to do so by comparison. Similar molecules can be expected to have similar IC50 values. For this, QSAR studies can be used, and have extensively been used (filter through merely related papers). These kind of studies can also include information from the protein structures, e.g. with proteochemometrics approaches.

ADD COMMENTlink modified 8.2 years ago • written 8.2 years ago by Egon Willighagen5.2k
1
gravatar for bagdevi.mishra
8.2 years ago by
Germany
bagdevi.mishra50 wrote:

In my view, IC 50 value should be obtained experimentally in stead of deriving it from QSAR study. Even though similar molecules can be expected to have similar IC50 values, I have done extensive study on this issue and have inferred that, different experimental procedure result in different IC 50 values for the same chemical compound. And the difference are not trivial.

ADD COMMENTlink written 8.2 years ago by bagdevi.mishra50
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