Publication 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

Type

article in a collection out of WoS and Scopus

Language

English

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.

Keywords

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

Authors

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

Released

23. 4. 2024

Publisher

Brno University of Technology

Location

Brno, Czech Republic

Pages from

1

Pages to

5

Pages count

5

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"
}