Abstract
Introduction: Dysbiosis of adiponectin is linked with an unhealthy gut microbiome resulting a decrease in the amount of adiponectin that induces type 2 diabetes mellitus (T2DM), obesity, dyslipidemia, thrombophilia, and cardiovascular disease (CVD). CVD, particularly stroke and heart attacks, is the prime reason for death among T2DM patients due to lower amounts of adiponectin, expressed by the gene ADIPOQ. Lower levels of adiponectin are strongly connected with insulin resistance and hyperinsulinemia. Research on the relationship between adiponectin and obesity, T2DM, and CVD is limited and the gaps need to be explored. Considering the importance of adiponectin, the current investigation was carried out through the screening of the phytocompounds from Zingiber officinale Roscoe against adiponectin to find out the potent phytocompounds for enhancing the production of adiponectin.
Methods: In silico investigation approaches such as Lipinski’s rule of five, network analysis molecular docking, and molecular dynamics simulations were performed to explore the impact of adiponectin in T2DM and CVD comorbidities and its therapeutics.
Results: Fifteen out of 24 compounds satisfied Lipinski’s rule of five that were further processed in various in silico studies along with the standard metformin. The docking studies revealed that the compound galanolactone with the highest binding affinity of -7.0 kcal/mol against Adiponectin was better than metformin.
Conclusion: The bio-computational tools explored an effective natural compound galanolactone identified with better efficacy than metformin in enhancing the levels of adiponectin that might ultimately be beneficial in the treatment of T2DM and CVD.