To provide examples on how the web server can be used for protein binding site prediction, we illustrate some case studies used to analyse protein-drug interactions in different perspectives.
The DrReposER web server can also be used to obtain a list of drug molecules that are indicated for a specific indication.
From the ‘Search for drug binding interfaces in protein-drug complexes’ interface, keyword search for ‘diabetes’ under 'Drug Indication' category returns a list of known binding sites with the key term 'diabetes' in drug indication.
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User may filter the list based on ligand name or number of residues. 'Sort by ligand' will sort the list according to PDB ligand ID in alphabetical manner.
Other than Acarbose, some of drug molecules with 'diabetes' term in the indication are; Mazindol (29Q), Linaglipitin (356), Mifepristone (486), Sitaglipitin (715), Agmatine (AG2), Saxagliptin (BJM) and Telmisartan (TLS).
Clicking on the ligand ID, for example 'BJM', will open a new results page for the ligand ID, with a list of known binding sites.
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Clicking on the DrReposER ID, for example '3BJM_A_BJMA1', will open a new results page with a list of similar patterns of amino acids derived from ASSAM searches.
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