2023
DOI: 10.7717/peerj.15885
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Curcumin Chalcone Derivatives Database (CCDD): a Python framework for natural compound derivatives database

Shailima Rampogu,
Thananjeyan Balasubramaniyam,
Joon-Hwa Lee

Abstract: We built the Curcumin Chalcone Derivatives Database (CCDD) to enable the effective virtual screening of highly potent curcumin and its analogs. The two-dimensional (2D) structures were drawn using the ChemBioOffice package and converted to 3D structures using Discovery Studio Visualizer V 2021 (DS). The database was built using different Python modules. For the 3D structures, different Python packages were used to obtain the data frame of compounds. This framework is also used to visualize the compounds. The w… Show more

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Cited by 2 publications
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“…Previous studies have primarily focused on using alkali/urea to enhance the stability and mechanical properties of CS. 30 Cur, a naturally and typically occurring chalcone obtained from plants, 31 can undergo the Michael addition reaction with amino groups under alkaline conditions. Therefore, CS/Cur is covalently crosslinked with the amino groups of CS and chalcone groups in Cur to yield a homogeneous and transparent mixture of CS/Cur by the chalcone-Michael addition reaction in alkali.…”
Section: Introductionmentioning
confidence: 99%
“…Previous studies have primarily focused on using alkali/urea to enhance the stability and mechanical properties of CS. 30 Cur, a naturally and typically occurring chalcone obtained from plants, 31 can undergo the Michael addition reaction with amino groups under alkaline conditions. Therefore, CS/Cur is covalently crosslinked with the amino groups of CS and chalcone groups in Cur to yield a homogeneous and transparent mixture of CS/Cur by the chalcone-Michael addition reaction in alkali.…”
Section: Introductionmentioning
confidence: 99%