Molecular Docking studies against Glioblastoma Proteins

Ivan Vito Ferrari¹ , Alex De Gregorio² , Maria Pia Fuggetta³ , Giampietro Ravagnan⁴

Section:Research Paper, Product Type: Journal-Paper
Vol.10 , Issue.2 , pp.19-23, Apr-2023

Online published on Apr 30, 2023

Copyright © Ivan Vito Ferrari, Alex De Gregorio, Maria Pia Fuggetta, Giampietro Ravagnan . This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
 

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Abstract :
Glioblastoma is a very aggressive tumor that arises from glial cells called astrocytes. It is a malignant brain tumor that unfortunately those affected generally die within a few months, even if they have undergone all the necessary treatments. This short theoretical communication aims to perform several Glioblastoma proteins by the Molecular Docking approach. From these results, Hypericin has shown high binding energies values ( - 10.22 kcal/mol) in human ALDH1A3 ( Aldehyde Dehydrogenase), while Curcumin, Polydatin, and drug Bemcentinib ( -10.32 kcal/mol, -9.69 kcal/mol and -13.28 kcal/mol respectively) with human LSD1 ( Lysine-specific demethylase 1).

Key-Words / Index Term :
Autodock Vina, Autodock 4, Docking program

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