Tracking mutation progression on SARS-CoV-2 druggable cavities, epitopes and binding interfaces
Date:
12/1/2021
Tracking the evolution of the SARS-CoV-2 viral components is vital for identifying potential efficacy shifts for existing and novel therapeutics (e.g. the Pfizer mRNA vaccine, Casirivimab, Indevimab, Bamlanivimab, Remdesivir) as well as understanding potential causes of increased virulence, e.g. the destabilising Spike glycoprotein D614G mutation, and mutations in the UK and South African variants that facilitate the viral spike activation and viral-host membrane fusion....
Why a Coronavirus canSAR?
Date:
5/7/2020
Selfish really. Cancer research labs across the world have shut down. Recruitment of new cancer patients to innovative, potentially life-saving clinical trials has all but stopped, cancer referrals and diagnoses have plummeted. We have to do something to re-instate our battle against cancer in full....
An snapshot of interventional clinical trials for Covid-19, SARS and MERS in clinicaltrials.gov at the end of April 2020 produces 528 non-vaccine clinical trials. . The vast majority (>500) of these are directed at CoViD-19. Here, existing therapies are being trialled in one of these Coronaviruses to treat the disease and/or alleviate the symptoms of the disease. level classification of the therapies sheds light on the key therapeutic approaches being explored in these diseases:...
3D structures for understanding mechanisms and designing drugs
Date:
4/29/2020
3D structures are a powerful tool in understanding the molecular mechanisms of disease and the design and development of new drugs. canSAR-3D, the 3D structural component of canSAR, use artificial intelligence approaches to identify and predict the ‘ligandability’ (the propensity of a protein to bind a drug-like small molecule) of proteins with known 3D structure. We map potential cavities and assess 3D-ligandability for all proteins released in the Protein Data Bank automatically update these in Coronavirus canSAR on a weekly basis. ...