Apr 28 2020 Feedback.
Contents
 
Introduction
Help Videos
Reference Guide
Getting Started
Protein Structure
Molecular Graphics
Slides & ActiveICM
Sequences & Alignments
Protein Modeling
Cheminformatics
Learn and Predict
Docking
Virtual Screening
MolScreen
3D Ligand Editor
 Setup Ligand and Receptor
 Preferences
 Display Options
 Score and Strain
 Edit Ligand
 Screen Replacement Group
 Scan
 Bioisostere Scan
 Dock or Minimize
 Dock Table
 Fragment Linking - Core Replacement
 Restraints
 Docking Templates
 Flexible Groups
 Refinement
 Multiple Receptor Docking
 Covalent Docking
 Dock to APF
 Save Docked Complex
 Export Docking Project
 Close Project
Tables and Plots
Local Databases
ICM-Scarab
KNIME
Tutorials
FAQs
 
Index
PrevICM User's Guide
15.8 Bioisostere Scan
Next

In drug design bioisosteres can be used to reduce toxicity, change bioavailability, alter metabolism and change activity of lead compound. Bioisosteres are chemical substituents with similar chemical or physical properties which produce broadly similar biological properties to another chemical compound.

To scan for Bioisostere replacement groups:

Step 1: Setup the ligand and receptor in the ligedit table.

Step 2: Display the edit tools panel.

Step 3: Click on the scissors button and the click on the bond next to the group you want to scan against. The region that will be scanned will be greyed out.

Step 4: Select Advanced/Bioisostere Scan

Step 5: A hitlist of bioisostere replacement groups will be displayed ranked by VLS score.


Prev
Scan
Home
Up
Next
Dock or Minimize

Copyright© 1989-2020, Molsoft,LLC - All Rights Reserved.
This document contains proprietary and confidential information of Molsoft, LLC.
The content of this document may not be disclosed to third parties, copied or duplicated in any form,
in whole or in part, without the prior written permission from Molsoft, LLC.