Pharmacophore Searching 101 - Introduction to CSD-CrossMiner
Introduction
CSD-CrossMiner is software that allows you to build pharmacophore queries and simultaneously mine the Cambridge Structural Database (CSD), the Protein Data Bank (PDB), and your proprietary structural data to quickly identify off-target effects, alternative scaffolds, similar binding sites, interaction motifs, bioisosteres, and more.
In this CSDU module, we will focus on performing a pharmacophore search using CSD-CrossMiner.
Learning outcomes
- What CSD-CrossMiner is and how it can be used in your research.
- How to navigate the CSD-CrossMiner interface.
- How to perform pharmacophore searches across biologically relevant subsets of the Cambridge Structural Database (CSD) and the Protein Data Bank (PDB).
- How to analyse and interact with your results, and save them.
- How to set up an interactive pharmacophore query.
Requirements
- No prior experience of CSD-CrossMiner is required, however some knowledge of life sciences is desirable
- CSD-CrossMiner, CSD Main Data and CSD-CrossMiner Data installed with a valid license that includes CSD-Discovery (full academic licenses include CSD-Discovery)
This module takes about 2 hours to complete.
Your CSDU Module
U Watch
This playlist introduces the module, explains what the CSD is, and demonstrates pharmacophore searching using CSD-CrossMiner.
If you have completed another CSDU module before, you can start form the second video.
The slides are available here. If YouTube is not available in your country, contact us for alternative access to the videos.
U Test
Quiz & Certificate – 15 minutes.
Test what you have learnt in this quick quiz to finish the module and receive a completion certificate.
You will need to score 10/10 to receive the completion certificate. Do not worry if you don’t pass it at the first attempt; you can take this test multiple times!
It may take up to a few hours to receive your certificate. If you do not receive your certificate within a day, please contact us.
Next Steps
Feedback
How was it? Leave your feedback here – it takes less than 5 minutes.
If you are going to use these tools in your work, do not forget to cite it when you publish.
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