An update on the use of molecular modeling in dendrimers design for biomedical applications: are we using its full potential?

Zloh, Mire; Barata, Teresa

doi:10.1080/17460441.2020.1769597

Cited by 6 publications

(3 citation statements)

References 73 publications

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“…Finally, equivalent malic acid was mixed with TPP-PEG-PAMAM solution by gentle pipetting. The mixture was vortexed for 30 s, and then kept still at room temperature for 30 min to form a TPP-PEG-PAMAM-malic acid polymer [ 38 , 39 ]. Hereinafter referred to as TPP@PAMAM@MA.…”

Section: Methodsmentioning

confidence: 99%

Effects of Malate Ringer's solution on myocardial injury in sepsis and enforcement effects of TPP@PAMAM-MR

et al. 2022

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Background Myocardial dysfunction played a vital role in organ damage after sepsis. Fluid resuscitation was the essential treatment in which Lactate Ringer's solution (LR) was commonly used. Since LR easily led to hyperlactatemia, its resuscitation effect was limited. Malate Ringer's solution (MR) was a new resuscitation crystal liquid. Whether MR had a protective effect on myocardial injury in sepsis and the relevant mechanism need to be studied. Methods The cecal ligation and puncture (CLP) inducing septic model and lipopolysaccharide (LPS) stimulating cardiomyocytes were used, and the cardiac function, the morphology and function of mitochondria were observed. The protective mechanism of MR on myocardial injury was explored by proteomics. Then the effects of TPP@PAMAM-MR, which consisted of the mitochondria- targeting polymer embodied malic acid, was further observed. Results Compared with LR, MR resuscitation significantly prolonged survival time, improved the cardiac function, alleviated the damages of liver, kidney and lung following sepsis in rats. The proteomics of myocardial tissue showed that differently expressed proteins between MR and LR infusion involved oxidative phosphorylation, apoptosis. Further study found that MR decreased ROS, improved the mitochondrial morphology and function, and ultimately enhanced mitochondrial respiration and promoted ATP production. Moreover, MR infusion decreased the expression of apoptosis-related proteins and increased the expression of anti-apoptotic proteins. TPP@PAMAM@MA was a polymer formed by wrapping l-malic acid with poly amido amine (PAMAM) modified triphenylphosphine material. TPP@PAMAM-MR (TPP-MR), which was synthesized by replacing the l-malic acid of MR with TPP@PAMAM@MA, was more efficient in targeting myocardial mitochondria and was superior to MR in protecting the sepsis-inducing myocardial injury. Conclusion MR was suitable for protecting myocardial injury after sepsis. The mechanism was related to MR improving the function and morphology of cardiomyocyte mitochondria and inhibiting cardiomyocyte apoptosis. The protective effect of TPP-MR was superior to MR.

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Section: Methodsmentioning

confidence: 99%

Effects of Malate Ringer's solution on myocardial injury in sepsis and enforcement effects of TPP@PAMAM-MR

et al. 2022

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“…Just like with AMPs, machine learning models have been applied to the design of dendrimers as well . Developing dendrimers with possible biomedical applications includes predicting the encapsulation efficiency of small molecules, predicting its cytotoxicity, or the possibility of binding of a dendrimer to a biomolecule .…”

Section: Machine Learning Approaches Toward Designing Dendrimersmentioning

confidence: 99%

“…Just like with AMPs, machine learning models have been applied to the design of dendrimers as well. 257 Developing dendrimers with possible biomedical applications includes predicting the encapsulation efficiency of small molecules, 258 predicting its cytotoxicity, 259 or the possibility of binding of a dendrimer to a biomolecule. 260 Researchers use previous knowledge of dendrimer structure–activity relationships to fine-tune the designing of new dendrimers for their desired functions.…”

Section: Machine Learning Approaches Toward Designing Dendrimersmentioning

confidence: 99%

Peptide Dendrimer-Based Antibacterial Agents: Synthesis and Applications

Paul,

Verma,

Chen

2024

ACS Infect. Dis.

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Pathogenic bacteria cause the deaths of millions of people every year. With the development of antibiotics, hundreds and thousands of people’s lives have been saved. Nevertheless, bacteria can develop resistance to antibiotics, rendering them insensitive to antibiotics over time. Peptides containing specific amino acids can be used as antibacterial agents; however, they can be easily degraded by proteases in vivo. To address these issues, branched peptide dendrimers are now being considered as good antibacterial agents due to their high efficacy, resistance to protease degradation, and low cytotoxicity. The ease with which peptide dendrimers can be synthesized and modified makes them accessible for use in various biological and nonbiological fields. That is, peptide dendrimers hold a promising future as antibacterial agents with prolonged efficacy without bacterial resistance development. Their in vivo stability and multivalence allow them to effectively target multi-drug-resistant strains and prevent biofilm formation. Thus, it is interesting to have an overview of the development and applications of peptide dendrimers in antibacterial research, including the possibility of employing machine learning approaches for the design of AMPs and dendrimers. This review summarizes the synthesis and applications of peptide dendrimers as antibacterial agents. The challenges and perspectives of using peptide dendrimers as the antibacterial agents are also discussed.

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Integration of Dendrimer‐Based Delivery Technologies with Computational Pharmaceutics and Their Potential in the Era of Nanomedicine

Tupally,

Seal,

Pandey

et al. 2024

Exploring Computational Pharmaceutics ‐ AI and Modeling in Pharma 4.0

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An update on the use of molecular modeling in dendrimers design for biomedical applications: are we using its full potential?

Cited by 6 publications

References 73 publications

Effects of Malate Ringer's solution on myocardial injury in sepsis and enforcement effects of TPP@PAMAM-MR

Effects of Malate Ringer's solution on myocardial injury in sepsis and enforcement effects of TPP@PAMAM-MR

Peptide Dendrimer-Based Antibacterial Agents: Synthesis and Applications

Integration of Dendrimer‐Based Delivery Technologies with Computational Pharmaceutics and Their Potential in the Era of Nanomedicine

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