The potentials of Calotropis procera against filarial elephantiasis: an in-silico approach

Abstract

Lymphatic lariasis is one of the major diseases that belong to the category of neglected tropical illness.Filarial nematodes are the cause of the disease and are transmitted to humans via blood-feeding arthropod vectors. Drugs such as Albendazole, Ivermectin and diethylcarbamazine are administered either individually or in combination to overcome the progress of the lymphatic lariasis. However, these drugs have some disadvantages like temporary hair loss, dizziness, nausea etc. The larial parasites have multifunctional proteins including the Glutathione-s-transferase (GST) enzyme which plays a major role in detoxi cation of endogenous electrophilic compounds. This study aims at the identi cation of a natural molecule that has the potential to bind with the GST enzyme and thus interrupt the detoxi cation process within the larial parasite, Brugia malayi. A medicinal plant Calotropis procera, owing to its anthelmintic properties was searched for the presence of potential phytocompounds. The phytocompounds were docked against the homology modeled GST enzyme using the MOE software. The results were screened and analyzed based on the Lipinski rule of 5. N-octanoate was the phytocompound obtained based on molecular docking, subjected to molecular dynamics. These results require further in vitro and in vivo validation to consider n-octanoate as a potential drug candidate for lymphatic lariasis treatment.

Omics: Applications related to diagnosis, treatment, prevention and control of parasitic diseases. Part II. Helminths

“…Novel drug development: In B. malayi, the technology of molecular docking was used for identification of a natural molecule from a flowering plant (Calotropis procera) that binds with glutathione-s-transferase and plays a major role in detoxification of endogenous electrophilic compounds. This binding disturbs the detoxification process within B. malayi [68] .…”