Flavin mononucleotide, a potent inhibitor of insulin-degrading enzyme: an in-silico study

• Published in: Journal of biomolecular structure & dynamics 2024-12, p.1
• Main Authors: Kumar, Nitish, Kaur, Komalpreet, Kaur Jassal, Anupmjot, Bedi, Preet Mohinder Singh
• Format: Article
• Language: English
• ISSN: 1538-0254; 1538-0254
• DOI: 10.1080/07391102.2024.2440146

Diabetes Mellitus is a metabolic disorder which has affected over 476 million people globally with projections indicating a further increase in this number. Despite the availability of treatment therapies, maintaining optimal blood glucose levels remains a critical task. During literature survey, we came across Insulin degrading enzyme (IDE) which is responsible for insulin degradation in the body and inhibition of this enzyme could increase the bioavailability of insulin in the body. Therefore, a library of phytoconstituents isolated from anti-diabetic plants was prepared and screened against the IDE by using various tools. This screening suggested Flavin mononucleotide (derivative of Vitamin B ) to possess the highest affinity towards IDE which interacted with a binding energy value of -332.686 kcal/mol. Moreover, molecular dynamic simulations and MMGBSA studies confirms the stability of Compound Flavin mononucleotide-IDE complex for at least 200 ns. These findings suggest that Compound Flavin mononucleotide has ability to halt the activity of this enzyme, but this study also underscores the need for confirming the anti-diabetic action of Flavin mononucleotide assay and subsequent studies.