BAITOC: Bioactivity information of organic Compounds

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BAITOC: Bioactivity information of organic compounds

India is well known for its expertise in organic synthesis.Few drug molecules however have come out of the diverse Laboratories. There is an urgent need to inform the organic chemist of the bioactivity/therapeutic potential of his / her molecule. The aim of BAITOC project is to fill this void, through rapid scans against a database of pathogen protein structures, which cause diease to humans and passing on this information to the scientist who can check the bio-activity of the molecule and further attempt to elaborate his/her scaffold to develop lead molecules.

We present here an application software for helping in development of laboratory generated organic molecules as lead compounds. The application screens thousands of protein structures against the input organic molecules in a time efficient manner and provides information on proteins (PDBID) showing high binding energy to the molecule under investigation.

[Quick User Manual]   [Descriptive User Manual]    [Baitoc Video]
    Formal Charge    

   Input Ligand file (*Sample Ligand File in .pdb format)

*The input file can be in any of the following formats (*.pdb, *.mol, *.xyz,*.sdf).
*Number of atoms in candidate molecule should be less then 200 atoms.

Click Here to retrive the current status of your job.

For submitting a job using a self drawn chemical structure Click Here and follow the instructions given.

For download Marvin chemical structure drawing softwareClick Here.
*Install "Windows Installer with Java".

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