In Vivo and In Silico Analgesic Activity of <i>Ficus populifolia</i> Extract Containing 2-O-β-D-(3′,4′,6′-Tri-acetyl)-glucopyranosyl-3-methyl Pentanoic Acid
Natural product-based structural templates have immensely shaped small molecule drug discovery, and new biogenic natural products have randomly provided the leads and molecular targets in anti-analgesic activity spheres. Pain relief achieved through opiates and non-steroidal anti-inflammatory drugs...
| Main Authors: | , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2023-01-01
|
| Series: | International Journal of Molecular Sciences |
| Subjects: | |
| Online Access: | https://www.mdpi.com/1422-0067/24/3/2270 |
| _version_ | 1797624402723995648 |
|---|---|
| author | Hamdoon A. Mohammed Amr S. Abouzied Salman A. A. Mohammed Riaz A. Khan |
| author_facet | Hamdoon A. Mohammed Amr S. Abouzied Salman A. A. Mohammed Riaz A. Khan |
| author_sort | Hamdoon A. Mohammed |
| collection | DOAJ |
| description | Natural product-based structural templates have immensely shaped small molecule drug discovery, and new biogenic natural products have randomly provided the leads and molecular targets in anti-analgesic activity spheres. Pain relief achieved through opiates and non-steroidal anti-inflammatory drugs (NSAIDs) has been under constant scrutiny owing to their tolerance, dependency, and other organs toxicities and tissue damage, including harm to the gastrointestinal tract (GIT) and renal tissues. A new, 3′,4′,6′-triacetylated-glucoside, 2-O-β-D-(3′,4′,6′-tri-acetyl)-glucopyranosyl-3-methyl pentanoic acid was obtained from <i>Ficus populifolia</i>, and characterized through a detailed NMR spectroscopic analysis, i.e., <sup>1</sup>H-NMR, <sup>13</sup>C-DEPT-135, and the 2D nuclear magnetic resonance (NMR) correlations. The product was in silico investigated for its analgesic prowess, COX-2 binding feasibility and scores, drug likeliness, ADMET (absorption, distribution, metabolism, excretion, and toxicity) properties, possible biosystem’s toxicity using the Discovery Studio<sup>®</sup>, and other molecular studies computational software programs. The glycosidic product showed strong potential as an analgesic agent. However, an in vivo evaluation, though at strong levels of pain-relieving action, was estimated on the compound’s extract owing to the quantity and yield issues of the glycosidic product. Nonetheless, the <i>F. populifolia</i> extract showed the analgesic potency in eight-week-old male mice on day seven of the administration of the extract’s dose in acetic acid-induced writhing and hot-plate methods. Acetic acid-induced abdominal writhing for all the treated groups decreased significantly (<i>p</i> < 0.0001), as compared to the control group (n = 6) by 62.9%, 67.9%, and 70.9% of a dose of 100 mg/kg (n = 6), 200 mg/kg (n = 6), and 400 mg/kg (n = 6), respectively. Similarly, using the analgesia meter, the reaction time to pain sensation increased significantly (<i>p</i> < 0.0001), as compared to the control (n = 6). The findings indicated peripheral and central-nervous-system-mediated analgesic action of the product obtained from the corresponding extract. |
| first_indexed | 2024-03-11T09:41:55Z |
| format | Article |
| id | doaj.art-7d08c06a83ae42f4ba83433562719b27 |
| institution | Directory Open Access Journal |
| issn | 1661-6596 1422-0067 |
| language | English |
| last_indexed | 2024-03-11T09:41:55Z |
| publishDate | 2023-01-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | International Journal of Molecular Sciences |
| spelling | doaj.art-7d08c06a83ae42f4ba83433562719b272023-11-16T16:54:50ZengMDPI AGInternational Journal of Molecular Sciences1661-65961422-00672023-01-01243227010.3390/ijms24032270In Vivo and In Silico Analgesic Activity of <i>Ficus populifolia</i> Extract Containing 2-O-β-D-(3′,4′,6′-Tri-acetyl)-glucopyranosyl-3-methyl Pentanoic AcidHamdoon A. Mohammed0Amr S. Abouzied1Salman A. A. Mohammed2Riaz A. Khan3Department of Medicinal Chemistry and Pharmacognosy, College of Pharmacy, Qassim University, Buraydah 51452, Saudi ArabiaDepartment of Pharmaceutical Chemistry, College of Pharmacy, University of Hail, Hail 81442, Saudi ArabiaDepartment of Pharmacology and Toxicology, College of Pharmacy, Qassim University, Buraydah 51452, Saudi ArabiaDepartment of Medicinal Chemistry and Pharmacognosy, College of Pharmacy, Qassim University, Buraydah 51452, Saudi ArabiaNatural product-based structural templates have immensely shaped small molecule drug discovery, and new biogenic natural products have randomly provided the leads and molecular targets in anti-analgesic activity spheres. Pain relief achieved through opiates and non-steroidal anti-inflammatory drugs (NSAIDs) has been under constant scrutiny owing to their tolerance, dependency, and other organs toxicities and tissue damage, including harm to the gastrointestinal tract (GIT) and renal tissues. A new, 3′,4′,6′-triacetylated-glucoside, 2-O-β-D-(3′,4′,6′-tri-acetyl)-glucopyranosyl-3-methyl pentanoic acid was obtained from <i>Ficus populifolia</i>, and characterized through a detailed NMR spectroscopic analysis, i.e., <sup>1</sup>H-NMR, <sup>13</sup>C-DEPT-135, and the 2D nuclear magnetic resonance (NMR) correlations. The product was in silico investigated for its analgesic prowess, COX-2 binding feasibility and scores, drug likeliness, ADMET (absorption, distribution, metabolism, excretion, and toxicity) properties, possible biosystem’s toxicity using the Discovery Studio<sup>®</sup>, and other molecular studies computational software programs. The glycosidic product showed strong potential as an analgesic agent. However, an in vivo evaluation, though at strong levels of pain-relieving action, was estimated on the compound’s extract owing to the quantity and yield issues of the glycosidic product. Nonetheless, the <i>F. populifolia</i> extract showed the analgesic potency in eight-week-old male mice on day seven of the administration of the extract’s dose in acetic acid-induced writhing and hot-plate methods. Acetic acid-induced abdominal writhing for all the treated groups decreased significantly (<i>p</i> < 0.0001), as compared to the control group (n = 6) by 62.9%, 67.9%, and 70.9% of a dose of 100 mg/kg (n = 6), 200 mg/kg (n = 6), and 400 mg/kg (n = 6), respectively. Similarly, using the analgesia meter, the reaction time to pain sensation increased significantly (<i>p</i> < 0.0001), as compared to the control (n = 6). The findings indicated peripheral and central-nervous-system-mediated analgesic action of the product obtained from the corresponding extract.https://www.mdpi.com/1422-0067/24/3/2270<i>Ficus populifolia</i>Moraceaein silico modelingDiscovery Studio<sup>®</sup>COX-2 inhibitoranalgesic activity |
| spellingShingle | Hamdoon A. Mohammed Amr S. Abouzied Salman A. A. Mohammed Riaz A. Khan In Vivo and In Silico Analgesic Activity of <i>Ficus populifolia</i> Extract Containing 2-O-β-D-(3′,4′,6′-Tri-acetyl)-glucopyranosyl-3-methyl Pentanoic Acid International Journal of Molecular Sciences <i>Ficus populifolia</i> Moraceae in silico modeling Discovery Studio<sup>®</sup> COX-2 inhibitor analgesic activity |
| title | In Vivo and In Silico Analgesic Activity of <i>Ficus populifolia</i> Extract Containing 2-O-β-D-(3′,4′,6′-Tri-acetyl)-glucopyranosyl-3-methyl Pentanoic Acid |
| title_full | In Vivo and In Silico Analgesic Activity of <i>Ficus populifolia</i> Extract Containing 2-O-β-D-(3′,4′,6′-Tri-acetyl)-glucopyranosyl-3-methyl Pentanoic Acid |
| title_fullStr | In Vivo and In Silico Analgesic Activity of <i>Ficus populifolia</i> Extract Containing 2-O-β-D-(3′,4′,6′-Tri-acetyl)-glucopyranosyl-3-methyl Pentanoic Acid |
| title_full_unstemmed | In Vivo and In Silico Analgesic Activity of <i>Ficus populifolia</i> Extract Containing 2-O-β-D-(3′,4′,6′-Tri-acetyl)-glucopyranosyl-3-methyl Pentanoic Acid |
| title_short | In Vivo and In Silico Analgesic Activity of <i>Ficus populifolia</i> Extract Containing 2-O-β-D-(3′,4′,6′-Tri-acetyl)-glucopyranosyl-3-methyl Pentanoic Acid |
| title_sort | in vivo and in silico analgesic activity of i ficus populifolia i extract containing 2 o β d 3 4 6 tri acetyl glucopyranosyl 3 methyl pentanoic acid |
| topic | <i>Ficus populifolia</i> Moraceae in silico modeling Discovery Studio<sup>®</sup> COX-2 inhibitor analgesic activity |
| url | https://www.mdpi.com/1422-0067/24/3/2270 |
| work_keys_str_mv | AT hamdoonamohammed invivoandinsilicoanalgesicactivityofificuspopulifoliaiextractcontaining2obd346triacetylglucopyranosyl3methylpentanoicacid AT amrsabouzied invivoandinsilicoanalgesicactivityofificuspopulifoliaiextractcontaining2obd346triacetylglucopyranosyl3methylpentanoicacid AT salmanaamohammed invivoandinsilicoanalgesicactivityofificuspopulifoliaiextractcontaining2obd346triacetylglucopyranosyl3methylpentanoicacid AT riazakhan invivoandinsilicoanalgesicactivityofificuspopulifoliaiextractcontaining2obd346triacetylglucopyranosyl3methylpentanoicacid |