PPIMpred: Prediction of Protein-Protein Interaction Modulators abbreviated as "PPIMpred" is a prediction server of small molecules that inhibit Protein-Protein Interactions (PPIs). Here three popular PPIs were studied : i) Mdm2/P53 ii) Bcl2/Bak and iii) c-Myc/Max. PPIMpred may complement High-throughput Docking studies using small chemicals. It allows fast and accurate way of identifying ligand on target protein using support vector machine (SVM) based method and similarity search algorithm (Tanimoto Co-efficient). Users may have singular input and batch input Options.

SVM based method
Fill up all the fields: (* marking fields are mandatory )
Users can get values of Physico-chemical properties of various chemicals directly from PubChem (Example :
Nutlin-3a (11433190) is one of well known and clinicaly tested PPIM that can inhibit the target PPI Mdm2/P53 )
Input Pubchem ID/CID (optional)
 
MW* XlogP3* H.B.D* R.B.C* T.P.S.A*
H.A.C* Complexity* D.A.S.C* D.B.S.C* C.B.U.C*
                   
SVM based Target Selection * Mdm2/P53 Bcl2/Bak c-Myc/Max    
                   
Assign Threshold  
                   
For Batch Input Click for Batch Submission
                   
 

Cite this article:
Jana T, Ghosh A, Das Mandal S, Banerjee R, Saha S. 2017 PPIMpred:a web server for high-throughput screening of small molecules targeting protein–protein interaction.R. Soc. open sci.4: 160501. http://dx.doi.org/10.1098/rsos.1605 PUBMED: 28484602
Note:
* Field should not be empty.
  MW: Molecular Weight [ Min: 57 g/mol & Max: 1200 g/mol].   XlogP3: [MIN: -4.0 & Max 15.6]. H.B.D : Hydrogen Bond Donor [Min: 0 & Max: 25]. R.B.C: Rotatable Bond Count [Min: 0 & Max: 39]. T.P.S.A. : Topological Surface Area [Min: 0 Å & Max:778 Å]. H.A.C: Heavy Atom Count [Min: 3 & Max: 122]. Complexity: Complexity [Min: 0 & Max: 3570]. D.A.S.C: Defined Atom Stereo Count [Min: 0 & Max: 19]. D.B.S.C: Defined Bond Stereo Count[ Min: 0 & max: 3]. C.B.U.C : Co-valently-bonded Unit Count [Min: 1 & Max:8] .