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<p>Diabetes mellitus and dyslipidemia make a significant contribution to mortality and morbidity. The <i>Gymnema Sylvestre’s</i> saponins have a variety of pharmacological effects, including the possibility of lowering diabetes and cholesterol levels. In the present study, molecular docking and molecular dynamic simulations were used in silico in order to understand the protein league stability and molecular interactions by aiming at anti-diabetic and anti-lipidemic proteins. As well we performed the drug likeliness and its toxicity of 13 <i>G. sylvestre</i> saponins, against anti-diabetic target proteins Aldose reductase, α- amylase, α- glycosidase and antilipidemic target proteins HMG-CoA reductase, Fatty acid synthase, Pancreatic Lipase target proteins. <i>Gymnemasin B</i> and <i>Gymnema saponin– IV</i> were shown the high energy between the target protein. As well these compounds shown good ADMET properties with standard oral antidiabetic compound Linagliptin. Molecular dynamics simulations further supported their strong binding interactions with the target proteins over time using 100 ns MD simulations. These findings suggest that these saponins hold promise as potential active molecules to making them possible candidates for the development of novel therapies for diabetes mellitus.</p> Graphical abstract <p></p>

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Anti-lipidemic and anti-diabetic properties of Gymnema sylvestre saponins: an in-silico approach

  • 期刊论文

  • 发表日期：

    2025年6月21日

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  • R. Archana Preetha,
  • G. Dicky John Davis,
  • M. Gowri Neelima,
  • B. S. Chaitra,
  • B. Kirankumar

摘要

Diabetes mellitus and dyslipidemia make a significant contribution to mortality and morbidity. The Gymnema Sylvestre’s saponins have a variety of pharmacological effects, including the possibility of lowering diabetes and cholesterol levels. In the present study, molecular docking and molecular dynamic simulations were used in silico in order to understand the protein league stability and molecular interactions by aiming at anti-diabetic and anti-lipidemic proteins. As well we performed the drug likeliness and its toxicity of 13 G. sylvestre saponins, against anti-diabetic target proteins Aldose reductase, α- amylase, α- glycosidase and antilipidemic target proteins HMG-CoA reductase, Fatty acid synthase, Pancreatic Lipase target proteins. Gymnemasin B and Gymnema saponin– IV were shown the high energy between the target protein. As well these compounds shown good ADMET properties with standard oral antidiabetic compound Linagliptin. Molecular dynamics simulations further supported their strong binding interactions with the target proteins over time using 100 ns MD simulations. These findings suggest that these saponins hold promise as potential active molecules to making them possible candidates for the development of novel therapies for diabetes mellitus.

Graphical abstract