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ACS Comb Sci ; 22(3): 101-108, 2020 03 09.
Article in English | MEDLINE | ID: mdl-32053337

ABSTRACT

Laboratory automation strategies have vast potential for accelerating discovery processes. They enable higher efficiency and throughput for time-consuming screening procedures and reduce error-prone manual steps. Automating repetitive procedures can for instance support chemists in optimizing chemical reactions. Particularly, the technology of DNA-encoded libraries (DELs) may benefit from automation techniques, since translation of chemical reactions to DNA-tagged reactants often requires screening of multiple reaction parameters and evaluation of large numbers of reactants. Here, we describe a portable, automated system for reagent dispensing that was designed from open source materials. The system was validated by performing amide coupling of carboxylic acids to DNA-linked amine and a micelle-mediated Povarov reaction to DNA-tagged hexahydropyrroloquinolines. The latter reaction required accurate pipetting of multiple components including different solvents and a surface-active reagent. Analysis of reactions demonstrated that the robotic system achieved high accuracy comparable to experimentation by an experienced chemist with the potential of higher throughput.


Subject(s)
Amides/chemistry , Amines/chemistry , Carboxylic Acids/chemistry , Combinatorial Chemistry Techniques , DNA/chemistry , Pyrroles/chemical synthesis , Quinolines/chemical synthesis , Automation , Drug Design , Drug Evaluation, Preclinical , Molecular Structure , Pyrroles/chemistry , Quinolines/chemistry
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