Synthesis, quantum mechanical calculations, molecular docking, Hirshfeld surface analysis and ADMET estimation studies of (E)-3-(anthracene-10-yl)-1-(napthalen-1-yl)prop-2-en-1-one
StemSkills Lab > Research > Medicinal & Synthetic Chemistry > Synthesis, quantum mechanical calculations, molecular docking, Hirshfeld surface analysis and ADMET estimation studies of (E)-3-(anthracene-10-yl)-1-(napthalen-1-yl)prop-2-en-1-one
Synthesis, quantum mechanical calculations, molecular docking, Hirshfeld surface analysis and ADMET estimation studies of (E)-3-(anthracene-10-yl)-1-(napthalen-1-yl)prop-2-en-1-one
- July 20, 2026
- Posted by: Stem Skills Lab
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Journal of Molecular Structure · 2022 · Cited 3 times
S. Srinivasan, Towseef Ahmad Hajam, S. Sathish, Ravneet Kaur Grewal
This study synthesises a chalcone, two aromatic ring systems joined by a short three-carbon bridge, built here from anthracene and naphthalene. The work then applies quantum mechanical calculations, molecular docking, Hirshfeld surface analysis of crystal contacts, and ADMET estimates covering absorption, distribution, metabolism, excretion, and toxicity.
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