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Detail publikace
Špaková, A Pankaj, V Bhogal, I Roy, S.
Originální název
Probing natural molecules with PPAR-γ to reveal potent agonist against Cancer
Typ
článek ve sborníku mimo WoS a Scopus
Jazyk
angličtina
Originální abstrakt
The work focuses on searching for a molecule with potential agonistic properties against cancer. Molecules from six databases were screened and docked to peroxisome proliferator-activated 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.
Klíčová slova
Cancer, PPAR-𝛾, target, natural molecules, ligand, virtual screening, molecular docking, dynamic simulation, ADMET
Autoři
Špaková, A; Pankaj, V; Bhogal, I; Roy, S.
Vydáno
23. 4. 2024
Nakladatel
Brno University of Technology
Místo
Brno, Czech Republic
Strany od
1
Strany do
5
Strany počet
URL
https://www.eeict.cz/download
BibTex
@inproceedings{BUT188844, author="Adriána {Špaková} and Vaishali {Pankaj} and Inderjeet {Bhogal} and Sudeep {Roy}", title="Probing natural molecules with PPAR-γ to reveal potent agonist against Cancer", booktitle="Proceedings II of the 30th STUDENT EEICT 2024", year="2024", pages="1--5", publisher="Brno University of Technology", address="Brno, Czech Republic", url="https://www.eeict.cz/download" }