Publication result detail

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

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

Original Title

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

English Title

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

Type

Paper in proceedings (conference paper)

Original 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 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.

English 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 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.

Keywords

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

Key words in English

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

Authors

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

RIV year

2025

Released

23.04.2024

Publisher

Brno University of Technology, Faculty of Electrical Engineering and Communication

Location

Brno

ISBN

978-80-214-6230-4

Book

Proceedings II of the 30th STUDENT EEICT 2024 Selected papers

Edition

1

Pages from

65

Pages to

69

Pages count

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"
}