152803-14-0Relevant academic research and scientific papers
Discovery of SARS-CoV-2 main protease inhibitors using a synthesis-directed: De novo design model
Morris, Aaron,McCorkindale, William,Drayman, Nir,Chodera, John D.,Tay, Sava?,London, Nir,Lee, Alpha A.
, p. 5909 - 5912 (2021)
The SARS-CoV-2 main viral protease (Mpro) is an attractive target for antivirals given its distinctiveness from host proteases, essentiality in the viral life cycle and conservation across coronaviridae. We launched the COVID Moonshot initiative to rapidly develop patent-free antivirals with open science and open data. Here we report the use of machine learning for de novo design, coupled with synthesis route prediction, in our campaign. We discover novel chemical scaffolds active in biochemical and live virus assays, synthesized with model generated routes. This journal is
Pyridinecarboxyimidamide compounds and the use thereof
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, (2008/06/13)
Disclosed are pyridinecarboximidamides having a vasodilating effect (hypotensive activity or antianginal activity), and acid adduct salts thereof. STR1 wherein when R1 represents an alkyl, hydroxyalkyl, carboxyl, amino, acylamino, alkylamino, dialkylamino, aralkylamino, alkylsulfonamide, bisalkylsulfonylamino or hydroxyl group, R2 represents a hydrogen atom and R3 represents a nitroxyl, 2-chlorophenyl or phenyl group; and when R1 represents a hydrogen atom, R2 represents an alkyl, hydroxyalkyl, carboxyl, amino, acylamino, alkylamino, dialkylamino, aralkylamino, alkylsulfonamide, bisalkylsulfonylamino or hydroxyl group and R3 represents a nitroxyl, 2-chlorophenyl or phenyl group. There is also disclosed the use of the compounds represented by the formula (I) for antihypertensive or antianginal purpose.
