Insights from
chemoinformatics studies of phytochemical derivatives of Aegle marmelos Correa:
Implications for diabetic therapy
Pillappan Ramkumar, Vangalapti Bheemesh, Anjali K. and Rajeshwari A.
Res. J. Biotech.; Vol. 20(3); 201-208;
doi: https://doi.org/10.25303/203rjbt2010208; (2025)
Abstract
Rapid advances in the field of diabetes have resulted in the discovery of numerous
chemotherapeutic agents. However, most of these drugs result in severe side effects
causing physical and mental trauma to patients. In order to eliminate the side effects,
the search for better and safer drugs has resulted in the discovery of anti-diabetic
properties of many phytochemicals. Recently, phytochemicals from A. marmelos have
garnered more interest for their anti-glycemic properties. Herein we present a process
for utilizing efficient and inexpensive computational strategies for identifying
and validating specific phytochemicals in the A. marmelos extracts and to further
understand their potency as anti-diabetics. Screening programs have revealed that
phytochemical agents from A. marmelos have shown in vitro or in vivo antidiabetic
activity.
In this comprehensive study, we employed α-glucosidases viz., α-amylase, maltase-glucoamylase
and sucrase-isomaltase as bio-chemical targets explore the underlying antagonistic
mechanisms of A. marmelos phytochemicals. Further, we have delineated the important
interactions responsible for the binding of ligands to the active site. The present
study provides potent phytochemicals which will be employed in the testing their
efficacy against diabetes in vitro.
