bhumica kiran,
- Student Department of Biotechnology, Ramaiah university of applied sciences, Mathikere,Bengaluru, Karnataka. India
Abstract
Objective: Diabesity, the amalgamation of diabetes and obesity, presents a significant global health
challenge. This research carefully examines the ways in which plant secondary metabolites influence
glucose regulation in diabetes by means of the PKA/CREB pathway, paying particular attention to
diabesity—the combination of diabetes and obesity. Understanding the complex ways in which these
metabolites affect metabolic health will help to identify new treatment approaches for managing
diabetes and its associated problems. By conducting a thorough analysis, this research aims to provide
essential insights into the creation of focused interventions that will ultimately improve the management
of metabolic disorders in general and the health of the general public by addressing the various
challenges presented by obesity. Methods: The study aimed to evaluate the efficacy of various
phytochemicals against diabetes using computational techniques to target the proteins 4uj1 and 6e99.
Protein structures were validated using PDBsum and BIOVIA Discovery Studio. Molecular docking,
facilitated by PyRx, utilized data from PubChem and molecular structures from Indian medicinal
plants. Ligands were pharmacologically assessed using ADMET filters. This comprehensive approach,
integrating multiple data sources and computational methods, offers deep insights into potential antidiabetic
medications. The use of advanced technologies such as molecular docking and protein
structural validation enhances our understanding of the therapeutic potential of natural compounds in
diabetes management. The results highlight the importance of combining traditional knowledge with
modern scientific techniques to develop effective treatments, suggesting that compounds from Indian
medicinal plants may offer novel strategies for treating diabetes and related metabolic disorders.
Results: Molecular docking experiments identified ginkgolides, nimbin, tetrandrine, emblicanin A, and
ginsenosides as ligands with the lowest binding affinities to the target proteins, indicating their
potential as anti-hyperglycemic agents. Conclusion: Nimbin, due to its low binding affinity for the
proteins 4uj1 and 6e99, shows promise for diabetes therapy through the PKA/CREB pathway. This
finding underscores the significance of nimbin in ongoing diabetes research and clinical trials,
highlighting its potential for developing new treatment strategies.
Keywords: Diabetes; Diabetes mellitus; Type 2 DM; Type 1 DM; Obesity; PKA/CREB pathway; Anti-hyperglycemia
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| Volume | |
| Received | April 1, 2024 |
| Accepted | May 23, 2024 |
| Published | August 24, 2024 |