Blog - The Cambridge Crystallographic Data Centre (CCDC)

Getting the most from CSD-Discovery: An overview of features, case studies and applications

Vera Prytkova – Wed, 04 Aug 2021 20:00:00 GMT

I’m a Research and Applications Scientist on the Discovery Science team at CCDC. In this short blog and accompanying video, I walk through how to make the most of your CSD-Enterprise licence using the tools in CSD-Discovery. The video highlights the available software in the Discovery suite and how it might fit into a drug development workflow. I also present real-world examples of a variety of research applications, including identifying dynamic disorder in semiconductors, advancing COVID-19 research and understanding ALR2 inhibitors for the treatment of diabetes complications.

CSD Ligand Overlay in action: ligand-based drug design of competitive inhibitors against DAHPS and EPSPS

Vera Prytkova – Tue, 04 May 2021 14:24:00 GMT

Here we highlight a paper using the CSD Ligand Overlay tool in ligand-based drug design for the development of antibiotics and antifungals. This is part of our series highlighting examples of the Cambridge Crystallographic Data Centre (CCDC) tools in action by scientists around the world.

How can the CSD Ligand Overlay program assist with ligand-based drug design?

Vera Prytkova – Wed, 28 Apr 2021 22:30:00 GMT

How do you design a drug if you don't know the target protein structure? Ligand-based drug design is an approach used in the absence of 3D structures of drug targets. This enables early-stage discovery and lead optimisation even when the protein structure is unknown. One option involves pharmacophore modelling, and it can be used in lieu of a protein-structure-based pathway.

Blog CSD Ligand Overlay

Getting the most from CSD-Discovery: An overview of features, case studies and applications

CSD Ligand Overlay in action: ligand-based drug design of competitive inhibitors against DAHPS and EPSPS

How can the CSD Ligand Overlay program assist with ligand-based drug design?

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