Could BMPs Therapy Be Improved if BMPs Were Used in Composition Acting during Bone Formation in Endochondral Ossification?

Hyc, Anna; Osiecka-Iwan, Anna; Moskalewski, Stanisław

doi:10.3390/ijms231810327

Cited by 3 publications

(1 citation statement)

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“…These receptors are involved in crucial bone metabolism, tissue development, and cellular processes related to dental and bone homeostasis. These were selected because they are possible targets of Bone morphogenetic proteins (BMPs) BMP2, BMP3, BMP7, and BMP9 were chosen as targets because these growth factors act as crucibles for bone formation and regeneration [ 49 , 50 ]. In particular, BMP2 and BMP7 play crucial roles in osteogenesis, making them two of the most important targets for the evaluation of PMMA-based precursors for biocompatibility [ 51 , 52 ].…”

Section: Resultsmentioning

confidence: 99%

In silico assessment of biocompatibility and toxicity: molecular docking and dynamics simulation of PMMA-based dental materials for interim prosthetic restorations

Saini,

Binduhayyim,

Gurumurthy

et al. 2024

J Mater Sci: Mater Med

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Aim: This study aimed to comprehensively assess the biocompatibility and toxicity profiles of poly(methyl methacrylate) (PMMA) and its monomeric unit, methyl methacrylate (MMA), crucial components in dental materials for interim prosthetic restorations. Methodology: Molecular docking was employed to predict the binding affinities, energetics, and steric features of MMA and PMMA with selected receptors involved in bone metabolism and tissue development, including RANKL, Fibronectin, BMP9, NOTCH2, and other related receptors. The HADDOCK standalone version was utilized for docking calculations, employing a Lamarckian genetic algorithm to explore the conformational space of ligand-receptor interactions. Furthermore, molecular dynamics (MD) simulations over 100 nanoseconds were conducted using the GROMACS package to evaluate dynamic actions and structural stability. The LigandScout was utilized for pharmacophore modeling, which employs a shape-based screening approach to identify potential ligand binding sites on protein targets. Results: The molecular docking studies elucidated promising interactions between PMMA and MMA with key biomolecular targets relevant to dental applications. MD simulation results provided strong evidence supporting the structural stability of PMMA complexes over time. Pharmacophore modeling highlighted the significance of carbonyl and hydroxyl groups as pharmacophoric features, indicating compounds with favorable biocompatibility profiles. Conclusion: This study underscores the potential of PMMA in dental applications, emphasizing its structural stability, molecular interactions, and safety considerations. These findings lay a foundation for future advancements in dental biomaterials, guiding the design and optimization of materials for enhanced biocompatibility. Future directions include experimental validation of computational findings and the development of PMMA-based dental materials with improved biocompatibility and clinical performance. Graphical Abstract

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Section: Resultsmentioning

confidence: 99%

In silico assessment of biocompatibility and toxicity: molecular docking and dynamics simulation of PMMA-based dental materials for interim prosthetic restorations

Saini,

Binduhayyim,

Gurumurthy

et al. 2024

J Mater Sci: Mater Med

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Toward osteomimetic formation of calcium phosphate coatings with carbonated hydroxyapatite

Idaszek

Jaroszewicz

Choińska

et al. 2023

Biomaterials Advances

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Angular limb deformity associated with TSPAN18, NRG3 and NOVA2 in Rambouillet rams

Becker,

Shira,

Woods

et al. 2023

Sci Rep

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Angular limb deformity (ALD) affects many species of livestock and companion animals. The mechanisms of ALD development are not well understood, but previous research suggests the involvement of genetic risk factors. A case-control genome-wide association study (GWAS) was conducted with 40 ALD-affected and 302 unaffected Rambouillet rams and 40,945 single nucleotide polymorphisms (SNPs). Forelimbs of 6 ALD-affected rams were examined and diagnosed with osteochondrosis. Genome-wide or chromosome-wide significant SNPs were positioned exonic, intronic or within the 3′UTR of genes TSPAN18, NRG3 and NOVA2, respectively. These genes have previously described roles related to angiogenesis and osteoblast, osteoclast and chondrocyte proliferation and differentiation, which suggests the possibility for their involvement in the pathogenesis of osteochondrosis. Functional consequences of SNPs were evaluated through transcription factor binding site analysis, which predicted binding sites for transcription factors of known importance to bone growth, including SOX6, SOX9 and RUNX2. The identification of genetic risk factors for ALD may help to improve animal welfare and production in Rambouillet, a breed known to be at risk for ALD development. This study proposes genes TSPAN18, NRG3 and NOVA2 as targets for further research towards understanding the etiology of ALD in Rambouillet sheep.

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Could BMPs Therapy Be Improved if BMPs Were Used in Composition Acting during Bone Formation in Endochondral Ossification?

Cited by 3 publications

References 100 publications

In silico assessment of biocompatibility and toxicity: molecular docking and dynamics simulation of PMMA-based dental materials for interim prosthetic restorations

In silico assessment of biocompatibility and toxicity: molecular docking and dynamics simulation of PMMA-based dental materials for interim prosthetic restorations

Toward osteomimetic formation of calcium phosphate coatings with carbonated hydroxyapatite

Angular limb deformity associated with TSPAN18, NRG3 and NOVA2 in Rambouillet rams

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