ANTIBACTERIAL ACTIVITY, PHARMACOKINETICS AND MOLECULAR DOCKING OF PHYTOCHEMICALS FROM RICINUS COMMUNIS` LEAF EXTRACTAbstract
To evaluate the antibacterial activity, pharmacokinetics and molecular interaction of the compounds from Ricinus communis` leaf extract. Antibacterial activity was assessed by using the micro-dilution method. The chemical constituents of the methanolic leaf extract were assessed by using gas chromatography-mass spectrophotometry (GC-MS). The drug-like and toxicity properties of the phytocompounds were predicted by SwissADME and ADMET lab tools. AutoDock Vina was employed to investigate the binding strength of the ligand-receptor complexes. The extract displayed antibacterial activity with the lowest minimum inhibitory concentration of 1.56 mg/mL on Bacillus spizizenii (ATCC 6633). The GC-MS showed volatile compounds, namely hexadecanoic acid, methyl ester (0.62%), tridecanoic acid (0.76%), pentafluoro propionic acid, nonyl ester (0.85%), 10-octadecanoic acid, methyl ester (2.93%) and cis-vaccenic acid (94.84%). The compounds did not inhibit isomers of cytochrome P450 (CPY) (CYP 2D6 and CYP 3A4). They were all predicted to have drug-like properties as they adhered to the Lipinski Ro5. The compounds did not show to induce any hepatotoxic effects. The compounds revealed the docking scores in the range of -4.4 to -5.7 kcal/mol. R. communis has the potential to be utilized as a source of therapeutic drug-like compounds.
Tsolanku Sidney Maliehe *, Sandile Nduduzo Mboyazi, Mduduzi Innocent Nqotheni, Sbongiseni Buthelezi and Jabulani Siyabonga Shandu
Department of Biochemistry and Microbiology, University of Zululand, Kwa Dlangezwa, South Africa.
10 November 2020
12 May 2021
28 June 2021
01 October 2021