In-vitro biological activity and in-silico studies of some volatile phytochemicals from the ethanol extract of <i>Eugenia uniflora</i>
Throughout history, humans have heavily relied on plants for both nourishment and the treatment of diseases. Breast cancer chemotherapies are expensive, have side effects, and may develop resistant cells. This shows the need for natural therapies to reduce the side effects of pharmacological remedie...
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AIMS Press
2024-09-01
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| author | Abdulrahman Mahmoud Dogara Ateeq Ahmed Al-Zahrani Sarwan W. Bradosty Saber W. Hamad Aisha Abdullahi Mahmud Hussain D. Almalki Mustapha Abdullahi Abubakar Abdullahi Lema Hasan Nudin Nur Fatihah |
| author_facet | Abdulrahman Mahmoud Dogara Ateeq Ahmed Al-Zahrani Sarwan W. Bradosty Saber W. Hamad Aisha Abdullahi Mahmud Hussain D. Almalki Mustapha Abdullahi Abubakar Abdullahi Lema Hasan Nudin Nur Fatihah |
| author_sort | Abdulrahman Mahmoud Dogara |
| collection | DOAJ |
| description | Throughout history, humans have heavily relied on plants for both nourishment and the treatment of diseases. Breast cancer chemotherapies are expensive, have side effects, and may develop resistant cells. This shows the need for natural therapies to reduce the side effects of pharmacological remedies. Our objective was to isolate phytochemicals from the ethanol extract of the <i>Eugenia uniflora</i> plant. Another objective was to assess the antioxidant activity of the crude ethanolic extract of <i>E. uniflora</i> leaves and predict the drug-likeness, pharmacokinetics, and binding potentials of the identified phytochemicals as anti-breast cancer agents. From the results, fifteen phytochemicals were isolated and identified. The average total phenolic content (TPC), total flavonoid content (TFC), radical scavenging activity (DPPH), and ferric reducing antioxidant power (FRAP) values for the ethanol extract were 119.5 mg GAE/g, 141.16 mg GAE/g, 37.8 µg/mL, and 7.2 mmol/g, respectively. The chemical composition revealed 15 compounds: 3-Undecene, Acetic acid, Benzofuran, Hydroquinone, alpha-L-Galactopyranose, Methyl hexofuranoside, Nonadecanoic acid, 10-Octadecenoic acid, 2-Nonen-1-ol, Z-8-Methyl-9-tetradecenoic, 10-Undecenal, 2-Octylcyclopropene-1-heptanol, 1,5-Cyclododecadiene, Allantoic acid, and Stearic acid hydrazide. The drug-likeness and ADME properties of the fifteen identified compounds revealed non-violation of Lipinski's rules of five requirements. The docking screening of the fifteen identified phytochemicals with the human placental aromatase target revealed Stearic acid hydrazide, with the highest binding affinity of −7.86 kcal/mol, which can serve as a competitive aromatase inhibitor. The <i>in-silico</i> study gave a high probability that some of these compounds could be used as aromatase inhibitors and thus play a role in treating breast cancer. As far as we are aware, there has been no prior research conducted on the potential inhibitory effects of certain compounds found in <i>E. uniflora</i> on the aromatase enzyme. |
| format | Article |
| id | doaj-art-0691d482ad044baa9c0d57675b11d409 |
| institution | OA Journals |
| issn | 2372-0301 |
| language | English |
| publishDate | 2024-09-01 |
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| series | AIMS Molecular Science |
| spelling | doaj-art-0691d482ad044baa9c0d57675b11d4092025-08-20T01:47:54ZengAIMS PressAIMS Molecular Science2372-03012024-09-0111330332110.3934/molsci.2024018In-vitro biological activity and in-silico studies of some volatile phytochemicals from the ethanol extract of <i>Eugenia uniflora</i>Abdulrahman Mahmoud Dogara 0Ateeq Ahmed Al-Zahrani 1 Sarwan W. Bradosty2Saber W. Hamad 3Aisha Abdullahi Mahmud4Hussain D. Almalki 5Mustapha Abdullahi 6Abubakar Abdullahi Lema 7Hasan Nudin Nur Fatihah81. Biology Education Department, Tishk International University, Erbil, Iraq 2. Faculty of Bioresources and Food Industry, Universiti Sultan Zainal Abidin, Besut Campus, 22200 Besut, Terengganu, Malaysia3. Chemistry Department, University College at Al-Qunfudhah, Umm Al-Qura University, Saudi Arabia4. Department of Medical Laboratory Science, College of Science, Cihan University-Erbil, Kurdistan Region, Iraq5. Department of Field Crops and Medicinal Plants, College of Agricultural Engineering Sciences, Salahaddin University-Erbil, Erbil, Kurdistan Region, Iraq 6. Department of Medical Laboratory Science, College of Science, Knowledge University, Kirkuk Road, 44001 Erbil, Iraq7. Department of Plant Science and Biotechnology, Faculty of Life Science, Federal University Dutsin-Ma, Katsina State, Nigeria3. Chemistry Department, University College at Al-Qunfudhah, Umm Al-Qura University, Saudi Arabia8. Department of Pure and Applied Chemistry, Kaduna State University, Kaduna, Nigeria9. Department of Biological Sciences, College of Natural and Applied Sciences, AL-Qalam University Katsina, Katsina State Nigeria2. Faculty of Bioresources and Food Industry, Universiti Sultan Zainal Abidin, Besut Campus, 22200 Besut, Terengganu, MalaysiaThroughout history, humans have heavily relied on plants for both nourishment and the treatment of diseases. Breast cancer chemotherapies are expensive, have side effects, and may develop resistant cells. This shows the need for natural therapies to reduce the side effects of pharmacological remedies. Our objective was to isolate phytochemicals from the ethanol extract of the <i>Eugenia uniflora</i> plant. Another objective was to assess the antioxidant activity of the crude ethanolic extract of <i>E. uniflora</i> leaves and predict the drug-likeness, pharmacokinetics, and binding potentials of the identified phytochemicals as anti-breast cancer agents. From the results, fifteen phytochemicals were isolated and identified. The average total phenolic content (TPC), total flavonoid content (TFC), radical scavenging activity (DPPH), and ferric reducing antioxidant power (FRAP) values for the ethanol extract were 119.5 mg GAE/g, 141.16 mg GAE/g, 37.8 µg/mL, and 7.2 mmol/g, respectively. The chemical composition revealed 15 compounds: 3-Undecene, Acetic acid, Benzofuran, Hydroquinone, alpha-L-Galactopyranose, Methyl hexofuranoside, Nonadecanoic acid, 10-Octadecenoic acid, 2-Nonen-1-ol, Z-8-Methyl-9-tetradecenoic, 10-Undecenal, 2-Octylcyclopropene-1-heptanol, 1,5-Cyclododecadiene, Allantoic acid, and Stearic acid hydrazide. The drug-likeness and ADME properties of the fifteen identified compounds revealed non-violation of Lipinski's rules of five requirements. The docking screening of the fifteen identified phytochemicals with the human placental aromatase target revealed Stearic acid hydrazide, with the highest binding affinity of −7.86 kcal/mol, which can serve as a competitive aromatase inhibitor. The <i>in-silico</i> study gave a high probability that some of these compounds could be used as aromatase inhibitors and thus play a role in treating breast cancer. As far as we are aware, there has been no prior research conducted on the potential inhibitory effects of certain compounds found in <i>E. uniflora</i> on the aromatase enzyme.https://www.aimspress.com/article/doi/10.3934/molsci.2024018?viewType=HTMLflavonoidseugenia unifloraantioxidant activityin silicocancer |
| spellingShingle | Abdulrahman Mahmoud Dogara Ateeq Ahmed Al-Zahrani Sarwan W. Bradosty Saber W. Hamad Aisha Abdullahi Mahmud Hussain D. Almalki Mustapha Abdullahi Abubakar Abdullahi Lema Hasan Nudin Nur Fatihah In-vitro biological activity and in-silico studies of some volatile phytochemicals from the ethanol extract of <i>Eugenia uniflora</i> AIMS Molecular Science flavonoids eugenia uniflora antioxidant activity in silico cancer |
| title | In-vitro biological activity and in-silico studies of some volatile phytochemicals from the ethanol extract of <i>Eugenia uniflora</i> |
| title_full | In-vitro biological activity and in-silico studies of some volatile phytochemicals from the ethanol extract of <i>Eugenia uniflora</i> |
| title_fullStr | In-vitro biological activity and in-silico studies of some volatile phytochemicals from the ethanol extract of <i>Eugenia uniflora</i> |
| title_full_unstemmed | In-vitro biological activity and in-silico studies of some volatile phytochemicals from the ethanol extract of <i>Eugenia uniflora</i> |
| title_short | In-vitro biological activity and in-silico studies of some volatile phytochemicals from the ethanol extract of <i>Eugenia uniflora</i> |
| title_sort | in vitro biological activity and in silico studies of some volatile phytochemicals from the ethanol extract of i eugenia uniflora i |
| topic | flavonoids eugenia uniflora antioxidant activity in silico cancer |
| url | https://www.aimspress.com/article/doi/10.3934/molsci.2024018?viewType=HTML |
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