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  • February 2021

Blog February 2021

  1. The February 2021 CSD Data Update

    Stephen Holgate – Fri, 26 Feb 2021 11:00:00 GMT

    We are pleased to announce that the February 2021 data update of the Cambridge Structural Database (CSD) is now available! This data update is available to users of our CSD software portfolio bringing you 20,058 new structures (20,698 new entries) and increasing the total size of the CSD to over 1.1 million structures.

    Continue reading…

  2. CSD-Educators: Samuel Tetteh from University of Cape Coast in Ghana

    Suzanna Ward – Thu, 25 Feb 2021 08:35:00 GMT

    For this CSD Educators blog it is my pleasure to welcome Dr Samuel Tetteh from the University of Cape Coast, Ghana. Samuel holds a PhD in Chemistry from the University of Cape Coast and is now a teacher and researcher at the University. I first met Samuel at a workshop in Kumasi in Ghana in 2016 and it has been fantastic to see how Samuel has gone on to use the Cambridge Structural Database to provide a more visual and engaging way to teach structural chemistry to his students. Samuel also employs the CSD in his research involving the study of structural and bonding properties of transition metal complexes and has published a number of research papers in this area. In this blog Samuel will tell us more about his teaching experiences and how crystal structures have helped him revolutionalise how he teaches chemistry. Samuel has also presented at our Educators UGM in March 2021 and you can watch his presentation here.

     

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  3. CSD-Materials in action - reducing risk in solid form selection of APIs

    Elna Pidcock – Tue, 16 Feb 2021 13:51:00 GMT

    Here we summarise a publication from our collaboration with Pfizer, which demonstrates the use of the healthcheck methodology to reduce risk and select the most stable form across three different APIs.

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  4. CSD-CrossMiner in action: exploring molecular scaffolds for a synthesized MCR library

    Francesca Stanzione – Tue, 16 Feb 2021 12:52:00 GMT

    Here we summarise a recent paper in which CSD-CrossMiner was used to explore further alternate scaffolds of a synthesized library of drug-like compounds based on a little explored multicomponent reaction (MCR).

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  5. CSD in action: analysis of the metastable polymorph of Loratadine

    Suzanna Ward – Tue, 16 Feb 2021 12:49:00 GMT

    Here we spotlight a recent publication which shows how CSD data supported a team from Novartis and NanoMEGAS to analyse a metastable form of the antihistamine drug Loratadine. Part of our series highlighting examples of our data and software in use around the world.

    Continue reading…

  6. CSD in action: Novel factor VIIa inhibitors via fragment based screening

    Abhik Mukhopadhyay – Tue, 16 Feb 2021 12:36:00 GMT

    Here we highlight one paper which used fragment based screening to identify new inhibitors with improved pharmacokinetic properties. Part of our series highlighting examples of CCDC tools in action by scientists around the world.

    Continue reading…

  7. GOLD in action: Virtual screening to repurpose drugs for COVID-19

    Vera Prytkova – Tue, 16 Feb 2021 12:34:00 GMT

    Here we highlight a paper which used virtual screening to identify drugs which could be repurposed to inhibit SARS-CoV-2 MPro (COVID-19). Part of our series highlighting examples of CCDC tools in action by scientists around the world.

    Continue reading…

  8. CSD in action: data mining to find hydrate-anhydrate structure pairs

    Ghazala Sadiq – Tue, 16 Feb 2021 12:21:00 GMT

    Here we highlight a paper which employed SMILES to mine the Cambridge Structural Database to identify hydrate-anhydrate pairs. Part of our series highlighting examples of CCDC tools in action by scientists around the world.

    Continue reading…

  9. Getting started with Full Interaction Maps

    Ilaria Gimondi – Mon, 15 Feb 2021 11:26:00 GMT

    Our collection of educational resources has been growing throughout 2020, welcoming new How to videos (on our YouTube and LabTube channels), new self-guided workshops and updates to our existing material. We also added a feedback survey for you to fill in at the end of each workshop to let us know how we are doing and how we can improve.

    This month we include in our collections 2 new resources, both about Full Interaction Maps (FIMs, for short): an educational video and a self-guided workshop. With now 2 videos and 3 workshops on the topic, it seems the right time to write a blog about Full Interaction Maps and walking you through the available material: from learning about FIMs, to the first steps to use it, to exploiting its potential in your research.

    Continue reading…

  10. UN International Day of Women and Girls in Science 2021

    Sophie Bryant – Thu, 11 Feb 2021 10:00:00 GMT

    For this year's #WomenInScience day we celebrate all the amazing women who have made great science happen with the CCDC over the past year.

    Continue reading…

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