Paper

FT-IR, FT-Raman and NMR characterization of 2-isopropyl-5-methylcyclohexyl quinoline-2-carboxylate and investigation of its reactive and optoelectronic properties by molecular dynamics simulations and DFT calculations

Published Jan 5, 2017 · DOI · Vidya V. Menon, E. Fazal, Y. Mary

Journal of Molecular Structure

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Abstract

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Study Snapshot

The synthesized compound 2-isopropyl-5-methylcyclohexyl quinoline-2-carboxylate shows potential inhibitory activity against CDK inhibitors, with binding affinity of 9.7 kcal/mol.

PopulationOlder adults (50-71 years)

Sample size24

MethodsObservational

OutcomesBody Mass Index projections

ResultsSocial networks mitigate obesity in older groups.

FT-IR, FT-Raman and NMR characterization of 2-isopropyl-5-methylcyclohexyl quinoline-2-carboxylate and investigation of its reactive and optoelectronic properties by molecular dynamics simulations and DFT calculations

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