BoBER (Base of Bioisosterically Exchangeable Replacements) is a freely available method which implements an interface to a database of bioisosteric and scaffold hopping replacements. The web-server enables fast and user-friendly searches for bioisosteric replacements which were obtained by mining the whole Protein Data Bank. BoBER enables medicinal chemists to quickly search and get new and unique ideas about possible bioisosteric or scaffold hoping replacements that could be used to improve specific hit or lead drug-like compounds.
Data access - API
Whole database dump can be accessed at the address below!
We are a group of in silico bioscientists working in the fields of bioinformatics, computational biology and machine learning. You
can learn more about our group's work at our home page.
Publications
Samo Lešnik, Janez Konc, Dušanka Janežič. Scaffold Hopping and Bioisosteric Replacements Based on Binding Site Alignments. Croat. Chem. Acta, 2016, 89, DOI: 10.5562/cca2993 (Open access)
Processing parameter input
This dialog should close when the database is ready to be displayed! Current status:
How to?
This simple tool enables search by base structures, used in Bober.
Simply draw your query structure and click the submit button, to identify possible candidates.
How to?
This tool provides the means to search by drug fragmentation procedure.This procedure consists of a simple workflow, depicted below, which is executed on the Bober server.