MIT researchers built DiffDock, a diffusion generative model that could potentially find new drugs faster than traditional methods and reduce the potential for adverse side effects.
Chemical investigation of the psychrophilic fungus Pseudogymnoascus sp. HDN17-933 derived from Antarctica led to the discovery of six new tetrapeptides psegymamides A–F (1–6), whose planar structures were elucidated by extensive NMR and MS spectrometric analyses. Structurally, psegymamides D–F (4–6) possess unique backbones bearing a tetrahydropyridoindoles unit, which make them the first examples discovered in naturally occurring peptides. The absolute configurations of structures were unambiguously determined using solid-phase total synthesis assisted by Marfey’s method, and all compounds were evaluated for their inhibition of human (h) nicotinic acetylcholine receptor subtypes. Compound 2 showed significant inhibitory activity. A preliminary structure–activity relationship investigation revealed that the tryptophan residue and the C-terminal with methoxy group were important to the inhibitory activity. Further, the high binding affinity of compound 2 to hα4β2 was expla
The compound Salen effectively binds to a number of SARS CoV 2, the virus that causes COVID-19, proteins. The findings pave the way to developing new therapeutics to fight coronavirus.
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Developing novel inhibitors of BRD4 to fight leukaemia with RECEPTOR.AI SaaS Platform apnews.com - get the latest breaking news, showbiz & celebrity photos, sport news & rumours, viral videos and top stories from apnews.com Daily Mail and Mail on Sunday newspapers.