Comparison Docking Studies of Polydatin and Curcumin as therapeutic Targets on Several Protein and Enzymes

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

Section:Research Paper, Product Type: Journal-Paper
Vol.10 , Issue.5 , pp.1-5, Oct-2023

Online published on Oct 31, 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 :
For the first time, we performed by Molecular Docking approach for six target proteins (DYRK-2, EGFR, COX-1-COV-2, MAPK-1 and MAK-3) the binding affinity of Polydatin and Curcumin respectively to evaluate their possible biological action. From all docking results, Curcumin has shown more binding affinity than Polydatin and also we noted that Curcumin has theoretically been able to bind mainly DYRK-2 and COX-1, showing excellent binding energy values of -10.15 kcal/mol and -9.59 kcal/mol respectively. As regards the case of Polydatin, it seems to have, among all the 6 targets investigated, only a good ability to bind with MAPK-1 with a binding energy value of approximately -9.11 kcal/mol. To achieve actual results, further molecular biological studies are necessary to understand both the mechanism of action of natural substances and their biological function with cells.

Key-Words / Index Term :
Autodock Vina, Autodock 4, Polydatin, Curcumin

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