KetoDrug

A web server for binding affinity prediction of ketoxazole derivatives against Fatty Acid Amide Hydrolase (FAAH)

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Inhibitor Prediction

  KiDoQ (Mtb target)

  GDoQ (Mtb target)

  ABMpred (Mtb target)

  eBooster (Mtb target)

  MDRIpred (Mtb cell)

  CancerIN (Cancer)

  ntEGFR (Cancer EGFR)

  EGFRpred (Cancer EGFR)

  DiPCell (Pancreatic Cancer)

  DMKPred (Human Kinases)

  TLR4HI (Human TLR4)

  HIVFin (HIV)

Antigenic Properties

  Carbotope
ADMET Properties

  MetaPred (Cytochrome P450)

  ToxiPred (Aqueous toxicity)

  DrugMint (Drug-like)

  QED (Oral drug-like)
Descriptors

  Format Conversion

  WebCDK

  MetaServer
     
About Webserver:

KetoDrug is a user friendly web sever for the prediction of binding affinity of small chemical molecules against FAAH.There are three ways by which user can provide query molecule.
i) Drawing the molecule using JME molecular editor provided at the submit page
ii) Paste the molecule in the area provided in mol/sdf/smi/mol2 format
iii)Through file containing molecules in appropriate formats.

Another advantage of this server is that a list of molecular descriptors which are used to build a QSAR model have been provided with the result.
User can Submit their multi-molecular file in mol/mol2/sdf/smi format and get the result from Email also.

In this study we have applied all possible approaches that are necessary for in silico prediction of chemical toxicity and believe that this study will be helpful for experimental biologist and pharmacologist who made their best contribution in the development of inhibitors design.


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