Original title: Probing natural molecules with PPAR-γ to reveal potent agonist against Cancer
Authors: Špaková, Adriána ; Pankaj, Vaishali ; Bhogal, Inderjeet ; Roy, Sudeep
Document type: Papers
Language: eng
Publisher: Vysoké učení technické v Brně, Fakulta elektrotechniky a komunikačních technologií
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.
Keywords: ADMET; Cancer; dynamic simulation; ligand; molecular docking; natural molecules; PPAR-𝛾; target; virtual screening
Host item entry: Proceedings II of the 30st Conference STUDENT EEICT 2024: Selected papers, ISBN 978-80-214-6230-4, ISSN 2788-1334

Institution: Brno University of Technology (web)
Document availability information: Fulltext is available in the Brno University of Technology Digital Library.
Original record: https://hdl.handle.net/11012/249282

Permalink: http://www.nusl.cz/ntk/nusl-622572


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