Matrix metalloproteinase9 (MMP9) is known to be highly expressed during metastatic cancer where most known potential inhibitors failed in the clinical trials. This study aims to select local plants in our state, as anti-breast cancer agent with hemopexin-like domain of MMP9 (PEX9) as the selective protein target. In silico screening for PEX9 inhibitors was performed from our in house-natural compound database to identify the plants. The selected plants were extracted using methanol and then a step-by-step in vitro screening against MMP9 was performed from its crude extract, partitions until fractions using FRET-based assay. The partitions were obtained by performing liquid–liquid extraction on the methanol extract using n-hexane, ethylacetate, n-butanol, and water representing nonpolar to polar solvents. The fractions were made from the selected partition, which demonstrated the best inhibition percentage toward MMP9, using column chromatography. Of the 200 compounds screened, 20 compounds that scored the binding affinity −11.2 to −8.1 kcal/mol toward PEX9 were selected as top hits. The binding of these hits were thoroughly investigated and linked to the plants which they were reported to be isolated from. Six of the eight crude extracts demonstrated inhibition toward MMP9 with the IC50 24 to 823 µg/mL. The partitions (1 mg/mL) of Ageratum conyzoides aerial parts and Ixora coccinea leaves showed inhibition 94% and 96%, whereas their fractions showed IC50 43 and 116 µg/mL, respectively toward MMP9. Using MTT assay, the crude extract of Ageratum exhibited IC50 22 and 229 µg/mL against 4T1 and T47D cell proliferations, respectively with a high safety index concluding its potential anti-breast cancer from herbal.
Wild mulberry (Morus nigra L.) is a kind of berries that has a high content of anthocyanin pigment. Anthocyanin is a natural pigment that has good biological activity so that widely be used as both food and drug ingredients. There are many studies conducted that have isolation anthocyanin from mulberry extract, but most of them used various expensive methods and the process included several steps that make them not cost-effective nor time-efficient. This research was conducted in order to do an isolation of anthocyanin from wild mulberry through a single step. The extraction of compounds was done by maceration and the isolation was done by thin layer chromatography method. The isolation product was identified with reagents, consisting of ferric chloride and sodium hydroxide, and with spectrophotometry methods, consisting of UV-Vis and infrared spectrophotometry. As result, this research was able to isolate anthocyanin from wild mulberry fruit by thin layer chromatography method. The identification with spectrophotometry methods indicated that the isolated compound hypothetically was anthocyanidin-3-O-rutinoside.
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