Detail publikačního výsledku

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

Špaková, A; Pankaj, V; Bhogal, I; Roy, S.

Originální název

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

Anglický název

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

Druh

Stať ve sborníku v databázi WoS či Scopus

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.

Anglický 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

Klíčová slova v angličtině

Cancer, PPAR-𝛾, target, natural molecules, ligand, virtual screening, molecular docking, dynamic simulation, ADMET

Autoři

Špaková, A; Pankaj, V; Bhogal, I; Roy, S.

Rok RIV

2025

Vydáno

23.04.2024

Nakladatel

Brno University of Technology, Faculty of Electrical Engineering and Communication

Místo

Brno

ISBN

978-80-214-6230-4

Kniha

Proceedings II of the 30th STUDENT EEICT 2024 Selected papers

Edice

1

Strany od

65

Strany do

69

Strany počet

5

URL

https://www.eeict.cz/eeict_download/archiv/sborniky/EEICT_2024_sbornik_2.pdf

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 Selected papers",
  year="2024",
  series="1",
  pages="65--69",
  publisher="Brno University of Technology, Faculty of Electrical Engineering and Communication",
  address="Brno",
  doi="10.13164/eeict.2024.65",
  isbn="978-80-214-6230-4",
  url="https://www.eeict.cz/eeict_download/archiv/sborniky/EEICT_2024_sbornik_2.pdf"
}