Computational chemistry

It’s impossible to be online and not hear about ChatGPT, the controversial chatbot launched by OpenAI in November 2022. Here, DDW’s Diana Spencer takes a look at the ways ChatGPT and technology like it could change the future of drug discovery and development. Chat Generative Pre-Trained Transformer (or ChatGPT) is a conversational chatbot, designed to […]

Researchers have shown that the medication saracatinib shows promise as a treatment for idiopathic pulmonary fibrosis (IPF).   Saracatinib worked as well or better than two approved drugs at reducing tissue scarring in preclinical models of IPF according to the study published in the American Journal of Respiratory and Critical Care Medicine.   Researchers at National Jewish […]

The COVID-19 antiviral race: we’re all in this together By Uduak Grace Thomas In response to the COVID-19 pandemic, international scientists from academia and industry have pooled their expertise and resources to identify candidate compounds that inhibit the activity of the SARS-CoV-2 main protease, in order to develop a clinically effective antiviral. The aptly named […]

Collaborative Research Leads To New Understanding Of Biomarkers By Dr Max Ryadnov and Professor Jason Crain A new collaborative research paper sheds light on the way antibodies distinguish between different but closely related ‘biomarkers’ – in this case protein fragments which reveal information about the condition of the human body. This new understanding could enable […]

Image: Fabio Centogene and Molecular Health, are to collaborate on the Real-life data and Innovative Bioinformatic Algorithms (RIBA) project, starting with epilepsy as the first indication. RIBA aims to foster a unique novel precision medicine environment to accelerate, de-risk, and improve the development of new orphan drugs based on the combination of large real-life data […]

Aggressive cancers could be treated with immunotherapies that direct the immune system to kill cancer cells with specific drug resistance-causing mutations, a major new study suggests. Drug resistance mutations which restore activity of the BRCA1 or BRCA2 genes as a way of avoiding the effects of drug treatment could leave tumours vulnerable to the effects […]

24 July 2020 Image: Joshua Sortino Cytel’s East Alloy platform is a web-native extension of the company’s East software for adaptive clinical trial design and analysis. By leveraging the speed of cloud computing and the pace of SaaS delivery, East Alloy enables easy implementation of computationally intensive Bayesian methods that may be otherwise impractical. To […]

Optibrium and the North Carolina School of Science and Mathematics (NCSSM), are celebrating five years of an education support collaboration. As part of this specialist science and technology summer school initiative, Optibrium provides free access to StarDrop, Optibrium’s software for small molecule design, optimisation and data analysis. This encourages high school students to take their […]

Computational modeling yields a protein fragment that could bind to coronavirus spike proteins and destroy them by Anne Trafton, MIT News Office The research described in this article has been published on a preprint server but has not yet been peer-reviewed by scientific or medical experts. Using computational models of protein interactions, researchers at the MIT Media […]

22 June 2020 SLAS Transformed is an interactive event focused on omics, synthetic biology and genome editing along with applicable implications for the current pandemic. The two-day event runs from 23-24 June 2020, offering 30-minute scientific research presentations, live exhibitor presentations and one-on-one networking sessions. It will span multiple time zones (6.30am-8pm) US Central and will […]