Phytochemicals from <i>Rhizophora mucronata</i> Propagules, Its <i>In Vitro</i> Anti-Cancer and <i>In Silico</i> Drug-Likeness Potential
This is the first report to identify the presence of 3-<i>O</i>-caffeoyl quinic acid (<b>1</b>), 4-<i>O</i>-caffeoyl quinic acid (<b>2</b>), 5-<i>O</i>-caffeoyl quinic acid (<b>3</b>), epi-catechin (<b>4</b>), and pr...
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MDPI AG
2021-09-01
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| Series: | Chemistry |
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| Online Access: | https://www.mdpi.com/2624-8549/3/3/70 |
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| author | Nurhanan Murni Yunos Sui Kiong Ling Asiah Osman Zunoliza Abdullah Nor Jannah Sallehudin |
| author_facet | Nurhanan Murni Yunos Sui Kiong Ling Asiah Osman Zunoliza Abdullah Nor Jannah Sallehudin |
| author_sort | Nurhanan Murni Yunos |
| collection | DOAJ |
| description | This is the first report to identify the presence of 3-<i>O</i>-caffeoyl quinic acid (<b>1</b>), 4-<i>O</i>-caffeoyl quinic acid (<b>2</b>), 5-<i>O</i>-caffeoyl quinic acid (<b>3</b>), epi-catechin (<b>4</b>), and procyanidin B2 (<b>5</b>) in the young propagules of <i>Rhizophora mucronata</i>. Compounds <b>2</b>–<b>5</b> were purified and then treated against breast, colorectal, and ovarian cancer cell lines for 72 h and the results of the Sulphorhodomine-B (SRB) assay were evaluated for percent cell viability and IC<sub>50</sub> values. Epi-catechin, 4-<i>O</i>-caffeoyl quinic acid, 5-<i>O</i>-caffeoyl quinic acid and procyanidin B2 showed strong to moderate inhibitory effects when treated on breast (T47D), colorectal (HT29), and ovarian (A2780, SKOV3) cancer cell lines with IC<sub>50</sub> values ranging from 16.77 ± 0.58 to 28.28 ± 0.89 μg/mL. <i>In silico</i> evaluation was performed to evaluate the drug-likeness and toxicological effects of these compounds using Molinspiration calculation and OSIRIS program. It was found that compounds <b>2</b>, <b>3</b>, and <b>4</b> have the potential to be orally active and have a low risk in exerting the mutagenic, tumorigenic, irritant, and reproductive effects. |
| first_indexed | 2024-03-10T07:48:28Z |
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| language | English |
| last_indexed | 2024-03-10T07:48:28Z |
| publishDate | 2021-09-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Chemistry |
| spelling | doaj.art-8236306ec3104b91a5da506436eb38892023-11-22T12:28:17ZengMDPI AGChemistry2624-85492021-09-013397999010.3390/chemistry3030070Phytochemicals from <i>Rhizophora mucronata</i> Propagules, Its <i>In Vitro</i> Anti-Cancer and <i>In Silico</i> Drug-Likeness PotentialNurhanan Murni Yunos0Sui Kiong Ling1Asiah Osman2Zunoliza Abdullah3Nor Jannah Sallehudin4Bioactivity Programme, Natural Products Division, Forest Research Institute Malaysia, Kepong 52109, Selangor, MalaysiaPhytochemistry Programme, Natural Products Division, Forest Research Institute Malaysia, Kepong 52109, Selangor, MalaysiaBioactivity Programme, Natural Products Division, Forest Research Institute Malaysia, Kepong 52109, Selangor, MalaysiaPhytochemistry Programme, Natural Products Division, Forest Research Institute Malaysia, Kepong 52109, Selangor, MalaysiaBioactivity Programme, Natural Products Division, Forest Research Institute Malaysia, Kepong 52109, Selangor, MalaysiaThis is the first report to identify the presence of 3-<i>O</i>-caffeoyl quinic acid (<b>1</b>), 4-<i>O</i>-caffeoyl quinic acid (<b>2</b>), 5-<i>O</i>-caffeoyl quinic acid (<b>3</b>), epi-catechin (<b>4</b>), and procyanidin B2 (<b>5</b>) in the young propagules of <i>Rhizophora mucronata</i>. Compounds <b>2</b>–<b>5</b> were purified and then treated against breast, colorectal, and ovarian cancer cell lines for 72 h and the results of the Sulphorhodomine-B (SRB) assay were evaluated for percent cell viability and IC<sub>50</sub> values. Epi-catechin, 4-<i>O</i>-caffeoyl quinic acid, 5-<i>O</i>-caffeoyl quinic acid and procyanidin B2 showed strong to moderate inhibitory effects when treated on breast (T47D), colorectal (HT29), and ovarian (A2780, SKOV3) cancer cell lines with IC<sub>50</sub> values ranging from 16.77 ± 0.58 to 28.28 ± 0.89 μg/mL. <i>In silico</i> evaluation was performed to evaluate the drug-likeness and toxicological effects of these compounds using Molinspiration calculation and OSIRIS program. It was found that compounds <b>2</b>, <b>3</b>, and <b>4</b> have the potential to be orally active and have a low risk in exerting the mutagenic, tumorigenic, irritant, and reproductive effects.https://www.mdpi.com/2624-8549/3/3/70<i>Rhizophora mucronata</i>phenolic compoundscancer cell linessulphorhodamine B assay<i>in silico</i> |
| spellingShingle | Nurhanan Murni Yunos Sui Kiong Ling Asiah Osman Zunoliza Abdullah Nor Jannah Sallehudin Phytochemicals from <i>Rhizophora mucronata</i> Propagules, Its <i>In Vitro</i> Anti-Cancer and <i>In Silico</i> Drug-Likeness Potential Chemistry <i>Rhizophora mucronata</i> phenolic compounds cancer cell lines sulphorhodamine B assay <i>in silico</i> |
| title | Phytochemicals from <i>Rhizophora mucronata</i> Propagules, Its <i>In Vitro</i> Anti-Cancer and <i>In Silico</i> Drug-Likeness Potential |
| title_full | Phytochemicals from <i>Rhizophora mucronata</i> Propagules, Its <i>In Vitro</i> Anti-Cancer and <i>In Silico</i> Drug-Likeness Potential |
| title_fullStr | Phytochemicals from <i>Rhizophora mucronata</i> Propagules, Its <i>In Vitro</i> Anti-Cancer and <i>In Silico</i> Drug-Likeness Potential |
| title_full_unstemmed | Phytochemicals from <i>Rhizophora mucronata</i> Propagules, Its <i>In Vitro</i> Anti-Cancer and <i>In Silico</i> Drug-Likeness Potential |
| title_short | Phytochemicals from <i>Rhizophora mucronata</i> Propagules, Its <i>In Vitro</i> Anti-Cancer and <i>In Silico</i> Drug-Likeness Potential |
| title_sort | phytochemicals from i rhizophora mucronata i propagules its i in vitro i anti cancer and i in silico i drug likeness potential |
| topic | <i>Rhizophora mucronata</i> phenolic compounds cancer cell lines sulphorhodamine B assay <i>in silico</i> |
| url | https://www.mdpi.com/2624-8549/3/3/70 |
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