Hi, I tried docking my ligands towards my target receptors. However, their binding affinity are lower than the inhibitors and the endogenous ligands, hence I will be creating bioisosteres. I know that swiss bioisostere database can help me. However, is there a systematic way of replacing any of the substituents to generate bioisosteres? Thanks!
this will help you https://www.molsoft.com/gui/bioisostere.html
Two different queries are possible: You are interested in a range of possible replacements for a single substructure ( e.g. replacements for an amide group ); or you want to know details about a particular substructural replacement of interest ( e.g. carboxylic acid vs. tetrazole ).
hi Miguel Guerrero Gonzalez can you recommend journals or free software thanks!
Abdalrazeq Nagah Bayoumy it's not a free softwaree. do you know any free software which might help me? thank you!