Hernández-León CR, Cárdenas-García M, Hernández-Linares MG, Bernès SJ

Language: Spanish
References: 7
Page: 7-11
PDF size: 340.93 Kb.

ABSTRACT

Introduction: periodontal disease is a multifactorial chronic inflammation leading to destruction of the dental support system. Limitations of current therapies have prompted the search for new options. At the Botanical Garden of Instituto de Ciencias de la Universidad Autónoma de Puebla (ICUAP), heterosteroids derived from hecogenin, sarsasapogenin and diosgenin have been developed. Their anti-inflammatory potential has been evaluated by molecular docking. Objective: to evaluate novel heterosteroids as potential modulators of inflammation in periodontal disease by an in silico approach using molecular docking to identify potential therapeutic targets. Material and methods: PRISMA diagram was applied to systematize the information and select therapeutic targets. In silico simulation was performed with AutoDock 4.2.6^©, evaluating the interaction of 62 heterosteroids with 69 key proteins. Results: 18 proteins were identified with significant interactions among 69 evaluated. Of the 69 heterosteroids, 39 showed promising interactions. A total of 127 molecular couplings were performed, highlighting 9 compounds with higher affinity, with D7, D12 and D13 being the most relevant. D12 stands out for its efficacy and low toxicity demonstrated in cancer studies. Conclusion: heterosteroids D7, D12, D13, AcO3Lax, 30xLax, Pseudodione, S5, H10 and H13 are promising as anti-inflammatory agents for periodontal disease, suggesting future in vitro studies.

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