Phytochemical study and pharmacophore analysis of moringa oleifera leaves

Khadijah, Jakwa. (2016) Phytochemical study and pharmacophore analysis of moringa oleifera leaves. [Final Year Project Report] (Unpublished)

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Abstract

Computer Aided Drug Design (CADD) develops technologically advanced to speed up the process of drug development. This research was focused specifically on ligand-based phannacophore modelling approach. Moringa olei{era (M ole~{era) are one of the species from genus Moringaceae that is the most widely known and utilized among this species. First, the extraction was done before the crude extract undergo solvent partition using solvent n-hexane, ethyl acetate and methanol. Isolation of ethyl acetate partition was perfonned using column chromatography (CC) while thin layer chromatography (TLC) was used to monitor the crude extract of M oleifora. Then, the isolated constituents were characterized using GC-MS, FTIR and NMR. Next, four established antimicrobial medicine including augmentin, metronidazole, penicillin G, penicillin VK were used as training set to generate the pharmacophore modelling using LigandScout software 3.12 and validated with the isolated constituent (test set) obtained from ethyl acetate partition to detennine the pharmacophore fit-value and common features. Lastly, the biological evaluation; cytotoxicity assay, antioxidant assay, and antimicrobial assay were done to the crude extract of M ole~{era leaves. The percentage yield of methanol extract ofM. olei{era was 20.71%. The isolated consitutent obtained from CC was 1,2-benzenedicarboxylic acid mono(2-ethylhexyl) ester that characterized using GC-MS, FTIR and NMR. The phannacophore fit-value of 1,2-benzenedicarboxylic acid mono(2-ethylhexyl) ester was 38.0500 that was higher compared to other training and test set. For antimicrobial assay, the value of LC50 of first crude extract was higher than 1000ppm revealed that M ole~{era was not toxic to brine shrimp. The crude extract showed average diameter zone of inhibition 10 nun against gram positive (s. aureus) and 8 nun against gram negative (E. coli). The percentage of scavenging activity of 0.125 mglmL, 0.230 mg/mL, 0.500 mglmL and 10.000 mglmL was 86.51%,90.78%,96.67% and 97.81% respectively.

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