LC-MS Analysis, Computational Investigation, and Antimalarial Studies ofAzadirachta indicaFruit

Abstract

Malaria is a deadly disease that continues to pose a threat to children and maternal well-being. This study was designed to identify the chemical constituents in the ethanolic fruit extract of Azadirachta indica, elucidate the pharmacological potentials of identified phytochemicals through the density functional theory method and carry out the antimalarial activity of extract using chemosuppression and curative models. The liquid chromatography-mass spectrometry (LC-MS) analysis of the ethanolic extract was carried out, followed by the density functional theory studies of the identified phytochemicals using B3LYP and 6-31G (d, p) basis set. The antimalarial assays were performed using the chemosuppression (4 days) and curative models. The LC-MS fingerprint of the extract led to the identification of desacetylnimbinolide, nimbidiol, O-methylazadironolide, nimbidic acid, and desfurano-6α-hydroxyazadiradione. Also, the frontier molecular orbital properties, molecular electrostatic potential, and dipole moment studies revealed the identified phytochemicals as possible antimalarial agents. The ethanolic extract of A indica fruit gave 83% suppression at 800 mg/kg, while 84% parasitaemia clearance was obtained in the curative study. The study provided information about the phytochemicals and background pharmacological evidences of the antimalarial ethnomedicinal claim of A indica fruit. Thus, isolation and structure elucidation of the identified phytochemicals from the active ethanolic extract and extensive antimalarial studies towards the discovery of new therapeutic agents is recommended for further studies.

Antimalarial Studies and Phytochemical Profiling of Laportea aestuans (L.) Chew Extractives

“…Extracts are considered active if they can extend the survival of the animal beyond 12 days. 40 Also, Faloye et al 41 reported that the survival time for treated mice in antiplasmodial studies which doubled that of the negative control, was evidence of good antiplasmodial activities of the extract. Even at the lowest dose of 100 mg/kg, the LA extract was able to triple the survival time of the animals relative to negative control and therefore could be considered as an indication of good antiplasmodial activity.…”