02051nas a2200157 4500008004100000245016900041210006900210260000800279490000700287520137700294100002601671700002101697700002601718700002301744856012601767 2024 eng d00a Synthesis of quinazolinone based spirocyclopropanes via [3?+?2] cycloaddition reaction: in silico anti-tubercular molecular docking studies and ADME prediction0 aSynthesis of quinazolinone based spirocyclopropanes via 32 cyclo cSEP0 v443 a

A highly efficient cascade annulation approach is developed for the synthesis of novel quinazolinone-based spirocyclopropanes via three-component [3ā€‰+ā€‰2] cycloaddition reaction with aldehydes, tosylhydrazide and quinazolinyl chalcones. The reaction features the formation of two Cā€“C bonds and three stereogenic centers. A variety of highly functionalized spirocyclopropyl quinazolinones were obtained in good yields under mild reaction conditions. Furthermore, in silico anti-tubercular (anti-TB) molecular docking studies were performed for the generated compounds against three Mycobacterium tuberculosis proteins with PDBID: 1DF7, 1P44 and 4TZK. ADME prediction were evaluated for the drug like properties of the synthesized compounds.

1 aAllaka, Bhargava, Sai1 aKanchrana, Madhu1 aGamidi, Rama, Krishna1 aBasavoju, Srinivas uhttps://library.ncl.res.in/content/synthesis-quinazolinone-based-spirocyclopropanes-32-cycloaddition-reaction-silico-anti