In Silico Characterization of the Interaction between the PBP2a “Decoy” Protein of Resistant Staphylococcus aureus and the Monomeric Units of Eudragit E-100 and Poly(Maleic Acid-alt-Octadecene) Polymers
Abstract
:1. Introduction
2. Materials and Methods
2.1. Obtaining 3D Ligands
2.2. PBP2a Proteine
2.3. Docking Molecular
3. Results and Discussion
4. Conclusions
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Conflicts of Interest
References
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Molecule | Binding Energy (kcal/mol) | HI | HB | EI |
---|---|---|---|---|
Ampicillin | −6.4 | 5 | 1 | 1 |
Eudragit (ionic form) | −4.6 | 3 | 2 | 1 |
Eudragit (neutral form) | −4.5 | 2 | 4 | 2 |
PAM18 (ionic form) | −5.2 | 12 | 0 | 0 |
PAM18 (neutral form) | −4.7 | 7 | 3 | 0 |
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Liscano, Y.; Amú, A.; González, A.; Oñate-Garzón, J.; Salamanca, C.H. In Silico Characterization of the Interaction between the PBP2a “Decoy” Protein of Resistant Staphylococcus aureus and the Monomeric Units of Eudragit E-100 and Poly(Maleic Acid-alt-Octadecene) Polymers. Polymers 2021, 13, 2320. https://doi.org/10.3390/polym13142320
Liscano Y, Amú A, González A, Oñate-Garzón J, Salamanca CH. In Silico Characterization of the Interaction between the PBP2a “Decoy” Protein of Resistant Staphylococcus aureus and the Monomeric Units of Eudragit E-100 and Poly(Maleic Acid-alt-Octadecene) Polymers. Polymers. 2021; 13(14):2320. https://doi.org/10.3390/polym13142320
Chicago/Turabian StyleLiscano, Yamil, Ana Amú, Astrid González, Jose Oñate-Garzón, and Constain H. Salamanca. 2021. "In Silico Characterization of the Interaction between the PBP2a “Decoy” Protein of Resistant Staphylococcus aureus and the Monomeric Units of Eudragit E-100 and Poly(Maleic Acid-alt-Octadecene) Polymers" Polymers 13, no. 14: 2320. https://doi.org/10.3390/polym13142320