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  11. Metformin-driven Activation Of Polymorphic Follicle-stimulating Hormone Receptors For Polycystic Ovary Syndrome Treatment: A Computational Study

Metformin-Driven Activation of Polymorphic Follicle-Stimulating Hormone Receptors for Polycystic Ovary Syndrome Treatment: A Computational Study

Khalid J Alzahrani1

  • 1Department of Clinical Laboratories Sciences, College of Applied Medical Sciences, Taif University, Taif, Saudi Arabia.

Medical Science Monitor : International Medical Journal of Experimental and Clinical Research
|June 9, 2025

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View abstract on PubMed

Summary
This summary is machine-generated.

Metformin may improve ovulation in women with polycystic ovarian syndrome (PCOS) and specific genetic variations (A307T, N680S) in the follicle-stimulating hormone receptor (FSHR). These variants show better binding with metformin, suggesting personalized treatment potential.

Area of Science:

  • Endocrinology
  • Computational Biology
  • Pharmacogenomics

Background:

  • Polycystic ovarian syndrome (PCOS) is a complex endocrine disorder characterized by anovulation, hyperandrogenism, and insulin resistance.
  • Disrupted follicle-stimulating hormone receptor (FSHR) function is often implicated in PCOS pathophysiology.
  • Metformin is a common treatment for PCOS, improving insulin sensitivity and androgen levels, but its direct effect on FSHR and genetic variants is unclear.

Purpose of the Study:

  • To investigate the structural impact of FSHR genetic polymorphisms (A307T, N680S) common in PCOS.
  • To evaluate the binding efficacy and molecular interactions of metformin with wild-type and variant FSHR.
  • To computationally assess the potential of metformin as a targeted therapy for PCOS patients with specific FSHR genotypes.

Main Methods:

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  • Homology modelling and validation of wild-type and variant FSHR structures.
  • Pathogenicity prediction for FSHR A307T and N680S variants.
  • Molecular docking simulations to determine metformin binding affinities.
  • Molecular dynamics simulations to analyze metformin-FSHR complex stability.

Main Results:

  • Modeled and validated 3D structures of wild-type and variant FSHR (A307T, N680S).
  • FSHR variants (A307T, N680S) were predicted to affect structural stability.
  • Metformin exhibited favorable binding affinities for both wild-type (-4.205 kcal/mol) and variant FSHR (A307T: -4.321 kcal/mol, N680S: -4.294 kcal/mol).
  • Molecular dynamics simulations indicated more stable metformin binding with A307T and N680S variants compared to wild-type FSHR.

Conclusions:

  • PCOS patients with A307T and N680S FSHR polymorphisms may respond better to metformin treatment.
  • Metformin's enhanced interaction with variant FSHR suggests potential for improved ovulation induction in insulin-resistant individuals.
  • Computational findings support exploring metformin pharmacogenomics for personalized PCOS management.