The role of vitamin D3 and B12 in thyroid health: in silico evaluation of potential binding to thyroid hormone receptors
Abstract
Background & objective: Hypothyroidism is a common disorder that affects metabolism and growth. Vitamin deficiencies, such as D3 and B12, are believed to exacerbate the symptoms of this condition. The mechanism explaining this effect is not precise, but it may be due to thyroid hormone receptors. This study used molecular docking techniques to analyze the relationship between vitamin D3 and B12 deficiency and hypothyroidism.
Methodology: The study included 90 women aged 35 and 55, divided into 45 hypothyroid patients and 45 control patients. Levels of thyroid hormones (T3 and T4), thyroid-stimulating hormone (TSH), calcium, vitamins D3 and B12 were determined. Molecular docking techniques study the interaction of thyroid hormone receptors (TRα and TRβ) with vitamins.
Results: The results showed a significant decrease in thyroid hormones, calcium, vitamin D3, and B12 levels, with increased TSH (p<0.01). The molecular docking results also showed a strong interaction between vitamin D3 and B12 with thyroid hormone receptors, indicating a possible regulatory role for gene expression, leading to an increase in the binding of thyroid hormone and its receptors. Additionally, the results of the ROC curve revealed 100% specificity and sensitivity for vitamin D3, vitamin B12, and calcium, and the cutoff points were (24.99, 214.5, and 8.26), respectively; these results indicate that these vitamins and calcium are ideal indicators for diagnosing the disease.
Conclusions: This study supports the hypothesis that vitamin D3 and vitamin B12 deficiency contribute to the worsening of hypothyroidism through their relationship with thyroid hormone receptors. Further studies are needed to understand the precise mechanisms of this relationship and the potential use of vitamin supplements as part of treatment strategies.Abbreviations: THR - thyroid hormone receptors; TSH - thyroid-stimulating hormone; HDL – high-density lipoprotein; TG - triglyceride; BMI - body mass index; SBP - systolic blood pressure; DBP - diastolic blood pressure Keywords: Hypothyroidism; Receptors; Molecular Docking Techniques; Thyroid hormone receptors; TRα; TRβ.
Citation: Baydaa H. Obaid BH, Salman MD, Makki NF, Ahmed AA. The role of vitamin D3 and B12 in thyroid health: in silico evaluation of potential binding to thyroid hormone receptors. Anaesth. pain intensive care 2026;30(2):215-223. DOI: 10.35975/apic.v30i2.3129
Received: January 09, 2026; Reviewed: January 12, 2026; Accepted: January 14, 2026
