Browsing by Author "Gyebi, G.A."

Now showing 1 - 14 of 14
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    African derived phytocompounds may interfere with SARS-CoV-2 RNA capping machinery via inhibition of 2′-O-ribose methyltransferase: An in-silico perspective
    (2022) Gyebi, G.A.; Ogunyemi, O.M.; Adefolalu, A.A.; Rodríguez-Martínez, A.; López-Pastor, J.F.; Banegas-Luna, A.J.; Pérez-Sánchez, H.,; Adegunloye, A.P.; Ogunro, O.B.; Afolabi, S.O.
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    Alkaloids and flavonoids from African phytochemicals as potential inhibitors of SARS-Cov-2 RNA-dependent RNA polymerase: an in-silico perspective
    (SAGE Publishers, 2020) Ogunyemi, O.M; Gyebi, G.A.; Elfiky, A.A.; Afolabi, Saheed O.
    Corona Virus Disease 2019 (COVID-19) is a pandemic caused by Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2). Exploiting the potentials of phytocompounds is an integral component of the international response to this pandemic. In this study, a virtual screening through molecular docking analysis was used to screen a total of 226 bioactive compounds from African herbs and medicinal plants for direct interactions with SARS-CoV-2 RNA-dependent RNA polymerase (RdRp). From these, 36 phytocompounds with binding affinities higher than the approved reference drugs (remdesivir and sobosivir), were further docked targeting the active sites of SARS-CoV-2, as well as SARS-CoV and HCV RdRp. A hit list of 7 compounds alongside two positive controls (remdesivir and sofosbuvir) and two negative controls (cinnamaldehyde and Thymoquinone) were further docked into the active site of 8 different conformations of SARS-CoV-2 RdRp gotten from molecular dynamics simulation (MDS) system equilibration. The top docked compounds were further subjected to predictive druglikeness and ADME/tox filtering analyses. Drugable alkaloids (10’–hydroxyusambarensine, cryptospirolepine, strychnopentamine) and flavonoids (usararotenoid A, and 12α-epi-millettosin), were reported to exhibit strong affinity binding and interactions with key amino acid residues in the catalytic site, the divalent-cation–binding site, and the NTP entry channel in the active region of the RdRp enzyme as the positive controls. These phytochemicals, in addition to other promising antivirals such as remdesivir and sofosbuvir, may be exploited towards the development of a cocktail of anti-coronavirus treatments in COVID-19. Experimental studies are recommended to validate these study.
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    Antimalarial phytochemicals as potential inhibitors of SARS-CoV-2 guanine N7-methyltransferase (nsp 14): an integrated computational approach
    (2022) Gyebi, G.A.; Ogunyemi, O.M.; Adefolalu, A.A.; López-Pastor, J.F.; Banegas-Luna, A.J.; Rodríguez-Martínez, A.; Pérez-Sánchez, H.; Adegunloye, A.P.; Ogunro, O.B.; Afolabi, S.O.
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    Apoptotic Potential of Iloneoside from Gongronema latifolium Benth against Prostate Cancer Cells Using In Vitro and In Silico Approach
    (2024) Gyebi, G.A.; Afolabi, S.O.; Ogunyemi, O.M.; Ibrahim, I.M.; Olorundare, O.E.; Adebayo, J.O.; Koketsu, M
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    Cholinergic inhibition and antioxidant potential of Gongronema latifolium benth leaf in neurodegeneration: experimental and in silico study
    (2024) Gyebi, G.A.; Ejoh, J.C.; Ogunyemi, O.M.; Afolabi, S.O.; Ibrahim, I.M.; Anyanwu, G.O.; Koketsu, M.
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    Effects of 3-O-[6-deoxy-3-O-methyl-β-D-allopyranosyl-(14)-β-D-canaropyranosyl]-17β-marsdenin on selected indices of cardiovascular diseases in mouse
    (Springer Nature, 2022-02) Adebayo, J. O.; Orire, A. B.; Gyebi, G.A.; Olorundare, O. E.; Babatunde, A. S.
    Some anticancer pregnane glycosides, e.g., 3-O-[6-deoxy-3-O-methyl-β-d-allopyranosyl-(1 → 4)-β-d-canaropyranosyl]-17β- marsdenin (3DMACM), have been isolated from Gongronema latifolium leaves which have not been evaluated for their effects on the cardiovascular system. Thus, this study was carried out to evaluate the effects of 3DMACM on selected indices of cardiovascular diseases in albino mice. Forty mice were randomly divided into four groups (ten mice each). Group A mice were orally administered 5% DMSO while mice in groups B, C, and D were orally administered 0.25, 0.5, and 1 mg/ kg body weight of the compound for 14 days, after which various indices of cardiovascular diseases were determined. The results revealed that the total cholesterol, triacylglycerol, very low density lipoprotein-, and high-density lipoprotein-cholesterol concentrations in the plasma and heart Na+- K+-ATPase activity were significantly reduced (p < 0.05) at the doses of 0.25 and 1 mg/kg body weight of the compound compared to controls. Also, atherogenic index, plasma LDH activity, and heart Mg2+- ATPase activity of the mice were significantly (p < 0.05) reduced at all doses of the compound compared to controls. Heart and plasma creatine kinase activities and heart Ca2+- Mg2+-ATPase activity of mice were significantly (p < 0.05) reduced at doses higher than 0.25 mg/kg body weight of the compound compared to controls. AST activities in the heart and plasma of mice were significantly increased (p < 0.05) at doses of 0.25 and 1 mg/kg body weight compared to controls. The results suggest that 3DMACM may not predispose subjects to atherosclerosis but may adversely affect cardiac muscle contraction/relaxation, especially at higher doses.
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    Iloneoside, an antimalarial pregnane glycoside isolated from Gongronema latifolium leaf, potentiates the activity of chloroquine against multidrug resistant Plasmodium falciparum
    (Elsevier, 2022-03) Adebayo, J. O.; Ceravolo, I. P.; Gyebi, G.A.; Olorundare, O. E.; Babatunde, A. S.; Penna-Coutinho, J. P.; Koketsu, M.; Krettli, A. U.
    The rapid spread of drug resistant malaria parasites has necessitated the search for novel antimalarials and chemosensitizers capable of reversing drug resistance in the parasites. A number of studies have revealed the resistance reversal activities of pregnane glycosides and the antimalarial activity of a pregnane glycoside obtained from Gongronema species. However, the pregnane (2) and pregnane glycosides (1, 3–4) isolated from Gongronema latifolium leaf have not been evaluated for these activities. This study was therefore carried out to evaluate the antiplasmodial and chloroquine resistance reversal activities of a pregnane and three pregnane glycosides isolated from G. latifolium leaf in vitro. The compounds were evaluated for their inhibitory activities against P. falciparum 3D7 (a chloroquine-sensitive strain) and P. falciparum W2 (a chloroquine-resistant clone) in vitro. The activities of chloroquine in separate combination with each of the compounds against P. falciparum W2 were also evaluated. Moreover, the interaction of the active compounds (1 and 4) with selected P. falciparum proteins (PfProteins) were evaluated in silico. The results revealed that only 1 and 4 were active against P. falciparum 3D7 and P. falciparum W2. Also, 2 and 3 did not exhibit chloroquine resistance reversal activity. Activity of chloroquine against P. falciparum W2 was potentiated by 1 by 3200% at concentrations higher than 0.625 μg/mL. Also, 1 and 4 demonstrated similar binding patterns and higher binding tendencies to the selected PfProteins compared to chloroquine. Thus, 1 (iloneoside) is an antimalarial pregnane glycoside which can potentiate the activity of chloroquine against multidrug resistant P. falciparum.
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    Iloneoside, an antimalarial pregnane glycoside isolated from Gongronema latifolium leaf, potentiates the activity of chloroquine against multidrug resistant Plasmodium falciparum
    (Elsevier, 2022-03) Adebayo, J. O.; Ceravolo, I. P.; Gyebi, G.A.; Olorundare, O. E.; Babatunde, A. S.; Penna-Coutinho, J. P.; Koketsu, M.; Krettli, A. U.
    The rapid spread of drug resistant malaria parasites has necessitated the search for novel antimalarials and chemosensitizers capable of reversing drug resistance in the parasites. A number of studies have revealed the resistance reversal activities of pregnane glycosides and the antimalarial activity of a pregnane glycoside obtained from Gongronema species. However, the pregnane (2) and pregnane glycosides (1, 3–4) isolated from Gongronema latifolium leaf have not been evaluated for these activities. This study was therefore carried out to evaluate the antiplasmodial and chloroquine resistance reversal activities of a pregnane and three pregnane glycosides isolated from G. latifolium leaf in vitro. The compounds were evaluated for their inhibitory activities against P. falciparum 3D7 (a chloroquine-sensitive strain) and P. falciparum W2 (a chloroquine-resistant clone) in vitro. The activities of chloroquine in separate combination with each of the compounds against P. falciparum W2 were also evaluated. Moreover, the interaction of the active compounds (1 and 4) with selected P. falciparum proteins (PfProteins) were evaluated in silico. The results revealed that only 1 and 4 were active against P. falciparum 3D7 and P. falciparum W2. Also, 2 and 3 did not exhibit chloroquine resistance reversal activity. Activity of chloroquine against P. falciparum W2 was potentiated by 1 by 3200% at concentrations higher than 0.625 μg/mL. Also, 1 and 4 demonstrated similar binding patterns and higher binding tendencies to the selected PfProteins compared to chloroquine. Thus, 1 (iloneoside) is an antimalarial pregnane glycoside which can potentiate the activity of chloroquine against multidrug resistant P. falciparum.
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    Prevention of SARS-CoV-2 cell entry: insight from in silico interaction of drug-like alkaloids with spike glycoprotein, human ACE2, and TMPRSS2
    (2022) Gyebi, G.A.; Adegunloye, A.P.; Ibrahim, I.M.; Ogunyemi, O.M.; Afolabi, S.O.; Ogunro, O.B.
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    Probing the multitargeting potential of n-hexane fraction of Gongronema latifolium leaves in neurodegeneration via in vitro, GC–MS and in silico studies
    (2023) Gyebi, G.A.; Ejoh, J.C.; Ogunyemi, O.M.; Ibrahim, A.M.; Ibrahim, I.M.; Afolabi, S.O.; Batiha, G.E.S.
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    SARS-CoV-2 host cell entry: an in-silico investigation of potential inhibitory roles of terpenoids
    (2021) Gyebi, G.A.; Ogunyemi, O.M.; Ibrahim, I.M.; Ogunro, O.B.; Adegunloye, A.P.; Afolabi, S.O