Swati P, Anudeepa J, Bakkiya Selvan V and Devanadhan RR
Varicose veins are a common and debilitating vascular disease, usually involving the abnormal dilatation and elongation of veins, mainly in the lower extremities. It is linked with vein wall weakness, compromised blood flow, inflammation, and endothelial dysfunction. The Extracellular Matrix (ECM), which consists of proteins like collagen, is essential in ensuring vascular structure and function. Matrix degradation by MMPs is one of the key pathways involved in pathogenesis of varicose veins. Existing measures are more centred on control of symptoms as well as the use of interventional therapies. New non-interventional therapies need to be formulated. For that purpose, a promising lead was the in silico screening for bioactive natural products of the banyan tree, Ficus benghalensis, since the tree has shown inhibitory activity for inflammation as well as vascular-protective potential. The current research targets the assessment of the ability of Ficus benghalensis compounds to influence collagen degradation as well as other varicose vein-associated proteins through molecular docking approaches. Ficus benghalensis possesses a rich pharmacological profile comprising bioactive constituents like flavonoids, tannins, and alkaloids, which induce different pharmacological effects like antioxidative, anti-inflammatory, as well as anti-angiogenic activities. Molecular docking simulations were used in this research to examine the interactions of bioactive molecules from Ficus benghalensis with significant proteins related to varicose veins such as collagen, MMPs, and the vascular endothelial growth factor (VEGF). These proteins play a pivotal role in ensuring vascular integrity and controlling ECM remodeling, which is usually compromised in varicose vein disease. The molecular docking was conducted with AutoDock Vina, a commonly used software program for the prediction of small molecule binding affinity to target proteins. Collagen, especially types I and III, was chosen as a key target because of its structural function in the vessel wall. MMPs responsible for ECM breakdown were also thought to be secondary targets. The growth factor VEGF, responsible for endothelial cell proliferation and angiogenesis, was also included in the docking studies. The findings indicated that a number of compounds in Ficus benghalensis exhibited robust binding affinities with collagen, indicating that these compounds are capable of inhibiting the breakdown of collagen and hence maintaining the structural integrity of vessel walls. Flavonoids like quercetin and rutin, as well as tannins, showed extensive interactions with MMPs, which could inhibit MMP enzyme activity and decrease ECM degradation. Additionally, some of the compounds showed good binding to VEGF, and thus they may be involved in vascular remodeling and angiogenesis, both of which are abnormal in varicose veins. This in silico research gives useful information on the therapeutic action of Ficus benghalensis compounds against proteins associated with varicose veins, specifically collagen degradation and MMP activity. The results indicate that Ficus benghalensis compounds could provide a new, natural treatment for controlling varicose veins by acting on crucial pathways related to vascular integrity and ECM remodeling. Nonetheless, more experimental research in the form of in vitro and in vivo evaluations must be performed to confirm such findings and study the clinical prospects of these substances in varicose vein treatment.
Pages: 118-123 | 96 Views 21 Downloads