Evaluation of Gossypium merserverium as an antimalarial agent: In vitro and computational studies

Gossypium merserverium leaves' decoction has traditionally been used in treating malaria, but no scientific data exists. Therefore, this study investigates the antiplasmodial potential of the plant extract from Gossypium merserverium. The methanol extract was obtained through in vacuo concentration of the methanol extract of G. merserverium. Thereafter, the in vitro assay of the extract was tested for its 50 % inhibitory concentration (IC50) using the β-haematin inhibition assay. The Gas Chromatography-Mass Spectrometry (GC-MS) analysis was conducted to identify compounds present in the extract, and identified compounds in G. merserverium were subjected to computational analysis focusing on ICET. Methanolic extract of G. merserverium exhibited an IC₅₀ value of 175.8 ± 0.02 μg/mL. The GC-MS analysis result identified 38 compounds, including Bis(2-ethylhexyl)phthalate, Thymol, Neophytadiene, Hexadecanoic acid methyl ester, and Phytol. In silico study on the compounds identified in Gossypium merserverium via GC-MS analysis, the ICET_Bis(2-ethylhexyl)phthalate showed the greatest variability, ranging from 35 to 45 ns. These findings offer a basis for future research into specific compounds responsible for their antiplasmodial properties and the nature of their interaction with chloroquine and other standard antimalarial drugs. This could optimize these extracts for malaria treatment.