What is PPIM-IC50pred?
PPIM-IC50pred is a SVM regression based webserver that would predict the IC50 values of those PPIMs not having tested the IC50 values more accurately and quickly.

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What are PPIMs?
Protein - protein interactions (PPIs) are vital to a cellular process and disruption of an important PPI involved in disease process may open up a new drug discovery. The disruption of the PPI interface can be done using small chemicals known as PPI modulators (PPIMs). A few of known small chemical PPIMs such as Nutlin-3a, ABT-263 and GX15-070 against these three PPIs were clinically tested.

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How users will give inputs to the PPIM-IC50pred?
Users should fill all information in all the fields such as 11 physico-chemical properities (Molecular Weight (MW), XLogP3, Hydrogen Bond Donor Count (HBC), Hydrogen Bond Acceptor Count (HAC), Rotatable Bond Count (RBC), Topological Polar Surface Area (TPSA), Heavy Atom Count (HAC), Complexity, Defined Atom Stereocenter Count (DASC), Defined Bond Stereocenter Count (DBSC), Covalently-Bonded Unit Count(CBU)), target PPI selection (Any PPI, Mdm2/P53 and Bcl2/Bak). One example was given on the home page. No field may not be left blank. In the batch option users may input as the 'example shown' in hyperlinked leftside of the page.

Single input page

Batch Submisson Page

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how output of prediction result will interpret to the users?
The output page of prediction results both singular input as well as, batch inputs, are described in Tabular format including Users' input chemical Id information (hyperlinked with PubChem), Target Protein Complex name and Predicted IC50 value (log 10 based).

Prediction result of single input

Prediction result of Batch inputs

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What will be predicted Log 10(IC50) values of known PPIMs, which were already clinically pursued?

Are there any suggested readings/query related to the contents of this PPIM-IC50pred?
For queries and suggestion please contact Dr. Sudipto Saha (ssaha4@jcbose.ac.in)   (ssaha4@gmail.com)

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Is there any Supplementary tables and figures for PPIM-IC50pred?
It will be available after some time.

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