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Molecular docking, HPLC phytochemical profiling and androgenic property of ethylacetate fraction of Borassusaethiopum (Mart.) hypocotyl in pre-clinical models.
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Adams Moses Dele, Sharubutu Balkisu Garba, Olaolu Tomilola Debby
Аннотация
ETHNOPHARMACOLOGICAL RELEVANCE: The increase in incidence of male fertility concerns have prompted investigation into Borassus aethiopum (Mart.), a medicinal plant with claimed male sex enhancing property with a bid to scientifically prove or disprove the claim.
AIM OF THE STUDY: This study therefore evaluated the androgenic potential of ethylacetate fraction of Borassus aethiopum hypocotyl (EFBAH) in male animal models using HPLC analysis (with saponin standard) and molecular docking studies.
MATERIALS AND METHODS: Twenty male animals were classified into four groups (n = 5/group). Group A represents the control while animals in group B-D were placed on different concentrations (25, 50 and 100 mg/kg body weight, BW) of EFBAH once a day over a 21-day period. Testicular levels of testosterone, LH, FSH, activities of testicular GGT, LDH and HMG-CoA reductase as well as concentrations of cholesterol, L-arginine and nitric oxide, HPLC analysis and molecular docking were conducted.
RESULTS: EFBAH substantively (p < 0.05) heightened testicular levels of biomolecules when matched with the control animals. Phytochemistry showed availability of anthraquinone, saponin, tannin, cardiac glycoside, flavonoid, steroid, terpenoid, alkaloid and phlobatannin. HPLC-identified compounds in the 100 mg/kg BW of EFBAH include hopanol, lanosterol, spirostanol, floratoginsenoiside, cucurbitadienol and tirucalladienol. Molecular docking of all identified compounds with HMG-CoA reductase revealed several binding interactions with spirostanol which has a PubChem CID of (12304444) and docking score of (-8.8) having the best fit on the enzyme binding pocket.
CONCLUSION: The EFBAH demonstrated male sex enhancing property which could have occurred via stimulation of male sexual maturation, enhancement of normal testicular function and strong molecular binding interaction of the identified androgenic compounds with HMG-CoA reductase.
AIM OF THE STUDY: This study therefore evaluated the androgenic potential of ethylacetate fraction of Borassus aethiopum hypocotyl (EFBAH) in male animal models using HPLC analysis (with saponin standard) and molecular docking studies.
MATERIALS AND METHODS: Twenty male animals were classified into four groups (n = 5/group). Group A represents the control while animals in group B-D were placed on different concentrations (25, 50 and 100 mg/kg body weight, BW) of EFBAH once a day over a 21-day period. Testicular levels of testosterone, LH, FSH, activities of testicular GGT, LDH and HMG-CoA reductase as well as concentrations of cholesterol, L-arginine and nitric oxide, HPLC analysis and molecular docking were conducted.
RESULTS: EFBAH substantively (p < 0.05) heightened testicular levels of biomolecules when matched with the control animals. Phytochemistry showed availability of anthraquinone, saponin, tannin, cardiac glycoside, flavonoid, steroid, terpenoid, alkaloid and phlobatannin. HPLC-identified compounds in the 100 mg/kg BW of EFBAH include hopanol, lanosterol, spirostanol, floratoginsenoiside, cucurbitadienol and tirucalladienol. Molecular docking of all identified compounds with HMG-CoA reductase revealed several binding interactions with spirostanol which has a PubChem CID of (12304444) and docking score of (-8.8) having the best fit on the enzyme binding pocket.
CONCLUSION: The EFBAH demonstrated male sex enhancing property which could have occurred via stimulation of male sexual maturation, enhancement of normal testicular function and strong molecular binding interaction of the identified androgenic compounds with HMG-CoA reductase.