Probing natural molecules with PPAR-γ to reveal potent agonist against Cancer

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65-eeict-2024-II.pdf(1.24 MB)
Date
2024
Authors
Špaková, Adriána
Pankaj, Vaishali
Bhogal, Inderjeet
Roy, Sudeep
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Referee
Mark
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Vysoké učení technické v Brně, Fakulta elektrotechniky a komunikačních technologií
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Abstract
The work focuses on searching for a molecule with potential agonistic properties against cancer. Molecules from six databases were screened and docked to peroxisome proliferatoractivated receptor gamma (PPAR-𝛾) by using computer aided drug design approach. Hits underwent further exploration, including dynamic simulation and safety verification. Piperlongumine - naturally occurring small molecule, derived from long pepper (Piper longum) showed after comparison with standards Troglitazone and Rosiglitazone promising results.
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Keywords
Cancer, PPAR-𝛾, target, natural molecules, ligand, virtual screening, molecular docking, dynamic simulation, ADMET
Citation
Proceedings II of the 30st Conference STUDENT EEICT 2024: Selected papers. s. 65-69. ISBN 978-80-214-6230-4
https://www.eeict.cz/eeict_download/archiv/sborniky/EEICT_2024_sbornik_2.pdf
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Peer-reviewed
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Published version
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en
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© Vysoké učení technické v Brně, Fakulta elektrotechniky a komunikačních technologií
DOI
10.13164/eeict.2024.65
URI
https://hdl.handle.net/11012/249282
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Student EEICT 2024: Selected Papers
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