Computational Resources 

Computational Resources for Drug Discovery (CRDD) is an important in silico module of OSDD designed with the objective to provide open access computational resources related to drug discovery on a single platform. The community has developed a large number of computational tools that are available in open source mode for drug discovery and development. The following resources are available. 

  • ccPDB: Compilation and creation of datasets from PDB
  • GiDoQ: QSAR and docking prediction of Mtb inhibitors
  • IPW: Largest manually curated interactome/pathway annotation of Mtb
  • KetoDrug: Binding affinity prediction of ketoxazole derivatives against FAAH
  • KiDoq: Docking energy score based prediction of antibacterials
  • MetaPred: Predict cytochrome P450 isoform responsible for drug metabolism
  • OSDDChem: Database of molecules with anti-TB drug like properties
  • TBrowse: Largest integrative genomic resource on Mtb H37Rv