List of Web Servers at CRDD Site

Web services for Chemoinformatics

First time in the world CRDD team has developed open source platform which allows users to predict inhibitors against novel M. Tuberculosis drug targets and other important properties of drug molecules like ADMET. Following are list of few servers.

  • MetaPred A webserver for the Prediction of Cytochrome P450 Isoform responsible for Metabolizing a Drug Molecule. MetaPred Server predict metabolizing CYP isoform of a drug molecule/substrate, based on SVM models developed using CDK descriptors.This server will be helpful for researcher working in the field of drug discovery.This study demonstrates that it is possible to develop free web servers in the field of chemoinformatics. This will encourage other researchers to develop web server for public use, which may lead to decrease the cost of discovering new drug molecules.
  • ToxiPred A server for prediction of aqueous toxicity of small chemical molecules in T. pyriformis.
  • KetoDrugA web server for binding affinity predicti€on of ketoxazole derivatives against Fatty Acid Amide Hydrolase (FAAH). It is a user friendly web sever for the prediction of binding affinity of small chemical molecules against FAAH. €
  • KiDoQ KiDoQ, a web server has been developed to serve scientific community working in the field of designing inhibitors against Dihydrodipicolinate synthase (DHDPS), a potential drug target enzyme of a unique bacterial DAP/Lysine pathway.
  • GDoQ GDoQ (Prediction of GLMU inhibitors using QSAR and AutoDock) is a open source platform developed for predicting inhibitors against Mycobacterium Tuberculosis (M.Tb) drug target N-acetylglucosamine-1-phosphate uridyltransferase (GLMU) protein. This i a potential drug target involved in bacterial cell wall synthesis. This server uses molecular docking and QSAR strategies to predict inhibitory activity value (IC50) of chemical compounds for GLMU protein.
  • ROCR The ROCR is an R package for evaluating and visualizing classifier performance . It is a flexible tool for creating ROC graphs, sensitivity/specificity curves, area under curve and precision/recall curve. The parametrization can be visualized by coloring the curve according to cutoff.
  • WebCDK A web interface for CDK library, it is a web interface for predicting descriptors of chemicals using CDK library.
  • Pharmacokinetics The Pharmacokinetic data analysis determines the relationship between the dosing regimen and the body's exposure to the drug as measured by the nonlinear concentration time curve. It includes a function, AUC, to calculate area under the curve. It also includes functions for half-life estimation for a biexponential model, and a two phase linear regression
  • GenomeABC A server for Benchmarking of Genome Assemblers.

    • Resources created

  • HivBio HIV Bioinformatics (HIVbio) site contains variou types of information on Human Immunodefeciency Virus (HIV) life cycle and Infection.
  • GDPbio GDPbio (Genome based prediction of Diseases and Personal medicines using Bioinformatics) is the project focussed upon providing various resources related to genome analysis particularly for the prediction of disease susceptibility of a particular individual and persoânalized medicines development, aiming public health improvement.
  • AminoFAT: Functional Annotation Tools for Amino Acâids (AminoFAT) server is designed to serve the bioinformatics community. Aim is to develop as many as possible tools to understand function of amino acids in proteins based on protein structure in PDB. The broad knowledge of proteins function would help in the identification of noval drug targets.