Life after a PhD By Dr Lauren Reid When I joined MedChemica in 2020, I had recently completed a PhD in computational chemistry, in which I had focused on molecular dynamics simulations. Joining a cheminformatics company was a chance for me to branch out into a different area of computational chemistry. I was excited to
Glioblastoma: Current Status, Emerging Targets, and Recent Advances I am picking this paper as a personal choice. A friend, Peter recently died from a brain tumour, and took his disease, and treatment with amazing stoicism. We thought for a couple of month he was in the clear, but the tumours returned and non of the
MedChemica on the Move. Here it is The Motorworks in the centre of Macclesfields - only 5 minutes walk from the train station. We have been expanding for the last 2 years so need a bigger office. Our employees wanted a greener commute, so the centre of Macclesfield made sense. Everyone has an improved route
MCPairs v1.8 release is automatically available to all users: MCPairs version 1.8 went live last weekend. All Online users are upgraded to the new platform, and all new tools are available to everyone. There is a small change in look and feel (the "Pizza Wheels" have been revamped, for example) but just about everything is
Optimizing Shape Complementarity Enables the Discovery of Potent Tricyclic BCL6 Inhibitors In this article from the Institute for Cancer Research, binders of B-cell lymphoma 6 protein were sought. Previous work showed that there was potential hydrophobic pocket adjacent to the lead series and careful work to fill this pocket was pursued. Initial approaches considered fused
Discovery of S-217622, a Noncovalent Oral SARS-CoV-2 3CL Protease Inhibitor Clinical Candidate for Treating COVID-19 Tachibana* et al J. Med. Chem. 2022, 65, 9, 6499–6512 Naturally we would be drawn to a SARS-CoV2 Protease inhibitor paper. This one has been made openly available, which is a bonus. The team started with available chemical information from
With a successful vaccine roll out and boasters jabs in the UK, the first full in person conferences have been taking place again. In the last two weeks I have attended two; of course, the virus does know about conferences so I was still wearing a face mask, even though the restrictions have been lifted.
Small Molecule CNS compounds for neuropathic pain "In general, neuropathic pain conditions are under-recognized, underdiagnosed, and undertreated." The challenge to treating this disease is finding a safe, brain penetrating small molecule that effects the root cause. AAK1 show promise as a target, and this paper show the progress of a series of bi-aryl compounds. CNS
Machine Learning May Sometimes Simply Capture Literature Popularity Trends: A Case Study of Heterocyclic Suzuki−Miyaura Coupling In this provocative study from the University of Illinois and Allchemy Inc, the ability of machine learning methods to predict the optimal conditions for some Suzuki-Miayaura couplings has been tested and compared to simply the most popular methods according
I guess I am blessed, I only live 7 miles from work. Back in the days of working for large pharma I was never satisfied with my carbon footprint. We used to have a bus service from Bollington [Cheshire, UK] and would take that each day for two years, but with just 14 or so
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