Comparative DPPH Radical Scavenging Activity, Phytochemical Profiling, FT-IR Analysis, and In-silico Molecular Docking Studies of Sap (Latex) from Jatropha Species
Musa Runde *
Department of Chemistry, National Open University of Nigeria, Abuja, Nigeria.
Onyinyechi V. Ugochukwu
Department of Chemistry, National Open University of Nigeria, Abuja, Nigeria.
Cyprian A. Beragu *
Department of biological sciences Benue State university Makurdi, Benue State, Nigeria.
Aminah L. Tanimu
Department of Chemistry, National Open University of Nigeria, Abuja, Nigeria.
Ernest O. Onugwu
Department of Chemistry, National Open University of Nigeria, Abuja, Nigeria.
Abubakar H. Idris
Department of Chemistry, National Open University of Nigeria, Abuja, Nigeria.
Efeoma A. Omobhude
Department of Chemistry, National Open University of Nigeria, Abuja, Nigeria.
Francisca Bassey
Department of Chemistry, University of Cross River State, Calabar, Nigeria.
Hitler Louis
Department of Chemistry, University of Cross River State, Calabar, Nigeria.
*Author to whom correspondence should be addressed.
Abstract
The latex of Jatropha Gossypiilia and Jatropha curcus was comparatively evaluated for phytochemical composition, antioxidant activity, functional-group characteristics, and molecular interaction with an Escherichia coli protein target. Fresh latex samples were collected from mature plants and analysed using quantitative phytochemical screening, 2,2-diphenyl-1-picrylhydrazyl radical scavenging assay, Fourier-transform infrared spectroscopy, and molecular docking against the protein target 1UEA. Quantitative screening showed that phenols were the predominant phytochemical group in both latex samples, with values of 2.051 for J. Gossypiilia and 2.095 for J.Carcus J. Gossypiilia contained higher tannins and alkaloids, with values of 1.475 and 0.813, respectively, while J. curcus showed higher flavonoid content of 1.307. In the DPPH assay, J. Gossypiilia latex showed consistently high radical scavenging activity, ranging from 94.35% to 95.57% across the tested concentrations. J. curcus showed concentration-dependent activity, increasing from 47.58% to 69.99%, while ascorbic acid increased from 38.81% to 72.32%. The IC₅₀ values reported for J. curcus and ascorbic acid were 0.27 and 0.38, respectively. FTIR spectra indicated the presence of hydroxyl, carbonyl, glycosidic, aromatic, nitrile, and aliphatic functional groups, suggesting a chemically diverse latex matrix. Molecular docking showed that lupeol and catechin had the strongest interactions among the selected compounds, with MolDock scores of -143.092 and -93.3154, respectively. Overall, the findings suggest that the latex of both Jatropha species contains bioactive phytochemical constituents, with J. Gossypiilia showing stronger radical scavenging activity under the conditions tested.
Keywords: Phytochemicals, Jatropha, FT-IR, docking, DPPH