Multimodal characterization of a pyrazolo3,4- b pyridine aldehyde: quantum chemical insights, NLO activity and VEGFR-2 docking/molecular dynamics | Synapse
February 8, 2026Open Access
Multimodal characterization of a pyrazolo3,4- b pyridine aldehyde: quantum chemical insights, NLO activity and VEGFR-2 docking/molecular dynamics
Key Points
To analyze the properties of the aldehyde-functionalized pyrazolo[3,4-b]pyridine derivative CJ129.
Conducted single-crystal X-ray diffraction to characterize the solid-state structure.
Employed quantum chemical methods to assess electronic properties.
Performed NLO activity analyses and VEGFR-2 docking simulations.
Successfully described the crystal structure through X-ray diffraction.
Identified significant NLO activity indicating potential for photonic applications.
Predicted strong binding affinity to VEGFR-2, suggesting therapeutic potential.
Abstract
The aldehyde-functionalized pyrazolo3,4- b pyridine derivative CJ129 was examined in the solid state for the first time using single-crystal X-ray diffraction.
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Cite This Study
Acosta-Quiroga et al. (Thu,) studied this question.