In Vitro and In Silico Potential Inhibitory Effects of New Biflavonoids from <i>Ochna rhizomatosa</i> on HIV-1 Integrase and <i>Plasmodium falciparum</i>
The aim of this study was to identify bioactive secondary metabolites from <i>Ochna rhizomatosa</i> with potential inhibitory effects against HIV and <i>Plasmodium falciparum. A</i> phytochemical study of <i>O. rhizomatosa</i> root barks resulted in the identifica...
| Main Authors: | , , , , , , , , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2022-08-01
|
| Series: | Pharmaceutics |
| Subjects: | |
| Online Access: | https://www.mdpi.com/1999-4923/14/8/1701 |
| _version_ | 1797408408451678208 |
|---|---|
| author | Angélique Nicolas Messi Susan Lucia Bonnet Brice Ayissi Owona Anke Wilhelm Eutrophe Le Doux Kamto Joseph Thierry Ndongo Xavier Siwe-Noundou Madan Poka Patrick H. Demana Rui W. M. Krause Joséphine Ngo Mbing Dieudonné Emmanuel Pegnyemb Christian G. Bochet |
| author_facet | Angélique Nicolas Messi Susan Lucia Bonnet Brice Ayissi Owona Anke Wilhelm Eutrophe Le Doux Kamto Joseph Thierry Ndongo Xavier Siwe-Noundou Madan Poka Patrick H. Demana Rui W. M. Krause Joséphine Ngo Mbing Dieudonné Emmanuel Pegnyemb Christian G. Bochet |
| author_sort | Angélique Nicolas Messi |
| collection | DOAJ |
| description | The aim of this study was to identify bioactive secondary metabolites from <i>Ochna rhizomatosa</i> with potential inhibitory effects against HIV and <i>Plasmodium falciparum. A</i> phytochemical study of <i>O. rhizomatosa</i> root barks resulted in the identification of three new biflavonoids (<b>1</b>–<b>3</b>), along with four known ones (<b>4</b>–<b>7</b>). Compound <b>7</b> (Gerontoisoflavone A) was a single flavonoid present in the rootbark of the plant and was used as a reference. Compound <b>1</b> (IC<sub>50</sub> = 0.047 µM) was the only one with a noteworthy inhibitory effect against HIV-1 integrase in vitro. Chicoric acid (IC<sub>50</sub> = 0.006 µM), a pure competitive inhibitor of HIV-1 integrase, was used as control. Compound <b>2</b> exhibited the highest antiplasmodial activity (IC<sub>50</sub> = 4.60 µM) against the chloroquine-sensitive strain of <i>Plasmodium falciparum</i> NF<i>54</i>. Computational molecular docking revealed that compounds <b>1</b> and <b>2</b> had the highest binding score (−121.8 and −131.88 Kcal/mol, respectively) in comparison to chicoric acid and Dolutegravir (−116 and −100 Kcal/mol, respectively), towards integrase receptor (PDB:3LPT). As far as Plasmodium-6 cysteine s48/45 domain inhibition is concerned, compounds <b>1</b> and <b>2</b> showed the highest binding scores in comparison to chloroquine, urging the analysis of these compounds in vivo for disease treatment. These results confirm the potential inhibitory effect of compounds <b>1</b> and <b>2</b> for HIV and malaria treatment. Therefore, our future investigation to find inhibitors of these receptors in vivo could be an effective strategy for developing new drugs. |
| first_indexed | 2024-03-09T03:58:03Z |
| format | Article |
| id | doaj.art-f32d71010f9947dfbf32416bd7e141eb |
| institution | Directory Open Access Journal |
| issn | 1999-4923 |
| language | English |
| last_indexed | 2024-03-09T03:58:03Z |
| publishDate | 2022-08-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Pharmaceutics |
| spelling | doaj.art-f32d71010f9947dfbf32416bd7e141eb2023-12-03T14:17:55ZengMDPI AGPharmaceutics1999-49232022-08-01148170110.3390/pharmaceutics14081701In Vitro and In Silico Potential Inhibitory Effects of New Biflavonoids from <i>Ochna rhizomatosa</i> on HIV-1 Integrase and <i>Plasmodium falciparum</i>Angélique Nicolas Messi0Susan Lucia Bonnet1Brice Ayissi Owona2Anke Wilhelm3Eutrophe Le Doux Kamto4Joseph Thierry Ndongo5Xavier Siwe-Noundou6Madan Poka7Patrick H. Demana8Rui W. M. Krause9Joséphine Ngo Mbing10Dieudonné Emmanuel Pegnyemb11Christian G. Bochet12Department of Organic Chemistry, Faculty of Science, University of Yaounde I, Yaounde P.O. Box 812, CameroonDepartment of Chemistry, University of the Free State, 205 Nelson Mandela Avenue, Bloemfontein 9301, South AfricaDepartment of Biochemistry, Faculty of Science, University of Yaounde I, Yaounde P.O. Box 812, CameroonDepartment of Chemistry, University of the Free State, 205 Nelson Mandela Avenue, Bloemfontein 9301, South AfricaDepartment of Organic Chemistry, Faculty of Science, University of Yaounde I, Yaounde P.O. Box 812, CameroonDepartment of Chemistry, Higher Teacher Training College, University of Yaounde 1, Yaounde P.O. Box 47, CameroonDepartment of Pharmaceutical Sciences, School of Pharmacy, Sefako Makgatho Health Sciences University, Pretoria 0204, South AfricaDepartment of Pharmaceutical Sciences, School of Pharmacy, Sefako Makgatho Health Sciences University, Pretoria 0204, South AfricaDepartment of Pharmaceutical Sciences, School of Pharmacy, Sefako Makgatho Health Sciences University, Pretoria 0204, South AfricaNanomaterials and Medicinal Organic Chemistry Laboratory, Department of Chemistry, Rhodes University, Grahamstown 6140, South AfricaDepartment of Organic Chemistry, Faculty of Science, University of Yaounde I, Yaounde P.O. Box 812, CameroonDepartment of Organic Chemistry, Faculty of Science, University of Yaounde I, Yaounde P.O. Box 812, CameroonDepartment of Chemistry, University of Fribourg, Chemin du Musée 9, CH-1700 Fribourg, SwitzerlandThe aim of this study was to identify bioactive secondary metabolites from <i>Ochna rhizomatosa</i> with potential inhibitory effects against HIV and <i>Plasmodium falciparum. A</i> phytochemical study of <i>O. rhizomatosa</i> root barks resulted in the identification of three new biflavonoids (<b>1</b>–<b>3</b>), along with four known ones (<b>4</b>–<b>7</b>). Compound <b>7</b> (Gerontoisoflavone A) was a single flavonoid present in the rootbark of the plant and was used as a reference. Compound <b>1</b> (IC<sub>50</sub> = 0.047 µM) was the only one with a noteworthy inhibitory effect against HIV-1 integrase in vitro. Chicoric acid (IC<sub>50</sub> = 0.006 µM), a pure competitive inhibitor of HIV-1 integrase, was used as control. Compound <b>2</b> exhibited the highest antiplasmodial activity (IC<sub>50</sub> = 4.60 µM) against the chloroquine-sensitive strain of <i>Plasmodium falciparum</i> NF<i>54</i>. Computational molecular docking revealed that compounds <b>1</b> and <b>2</b> had the highest binding score (−121.8 and −131.88 Kcal/mol, respectively) in comparison to chicoric acid and Dolutegravir (−116 and −100 Kcal/mol, respectively), towards integrase receptor (PDB:3LPT). As far as Plasmodium-6 cysteine s48/45 domain inhibition is concerned, compounds <b>1</b> and <b>2</b> showed the highest binding scores in comparison to chloroquine, urging the analysis of these compounds in vivo for disease treatment. These results confirm the potential inhibitory effect of compounds <b>1</b> and <b>2</b> for HIV and malaria treatment. Therefore, our future investigation to find inhibitors of these receptors in vivo could be an effective strategy for developing new drugs.https://www.mdpi.com/1999-4923/14/8/1701<i>Ochna rhizomatosa</i>biflavonoidsHIV-1 replication<i>Plasmodium falciparum</i> NF<i>54</i>structure–activity relationshipsmolecular docking |
| spellingShingle | Angélique Nicolas Messi Susan Lucia Bonnet Brice Ayissi Owona Anke Wilhelm Eutrophe Le Doux Kamto Joseph Thierry Ndongo Xavier Siwe-Noundou Madan Poka Patrick H. Demana Rui W. M. Krause Joséphine Ngo Mbing Dieudonné Emmanuel Pegnyemb Christian G. Bochet In Vitro and In Silico Potential Inhibitory Effects of New Biflavonoids from <i>Ochna rhizomatosa</i> on HIV-1 Integrase and <i>Plasmodium falciparum</i> Pharmaceutics <i>Ochna rhizomatosa</i> biflavonoids HIV-1 replication <i>Plasmodium falciparum</i> NF<i>54</i> structure–activity relationships molecular docking |
| title | In Vitro and In Silico Potential Inhibitory Effects of New Biflavonoids from <i>Ochna rhizomatosa</i> on HIV-1 Integrase and <i>Plasmodium falciparum</i> |
| title_full | In Vitro and In Silico Potential Inhibitory Effects of New Biflavonoids from <i>Ochna rhizomatosa</i> on HIV-1 Integrase and <i>Plasmodium falciparum</i> |
| title_fullStr | In Vitro and In Silico Potential Inhibitory Effects of New Biflavonoids from <i>Ochna rhizomatosa</i> on HIV-1 Integrase and <i>Plasmodium falciparum</i> |
| title_full_unstemmed | In Vitro and In Silico Potential Inhibitory Effects of New Biflavonoids from <i>Ochna rhizomatosa</i> on HIV-1 Integrase and <i>Plasmodium falciparum</i> |
| title_short | In Vitro and In Silico Potential Inhibitory Effects of New Biflavonoids from <i>Ochna rhizomatosa</i> on HIV-1 Integrase and <i>Plasmodium falciparum</i> |
| title_sort | in vitro and in silico potential inhibitory effects of new biflavonoids from i ochna rhizomatosa i on hiv 1 integrase and i plasmodium falciparum i |
| topic | <i>Ochna rhizomatosa</i> biflavonoids HIV-1 replication <i>Plasmodium falciparum</i> NF<i>54</i> structure–activity relationships molecular docking |
| url | https://www.mdpi.com/1999-4923/14/8/1701 |
| work_keys_str_mv | AT angeliquenicolasmessi invitroandinsilicopotentialinhibitoryeffectsofnewbiflavonoidsfromiochnarhizomatosaionhiv1integraseandiplasmodiumfalciparumi AT susanluciabonnet invitroandinsilicopotentialinhibitoryeffectsofnewbiflavonoidsfromiochnarhizomatosaionhiv1integraseandiplasmodiumfalciparumi AT briceayissiowona invitroandinsilicopotentialinhibitoryeffectsofnewbiflavonoidsfromiochnarhizomatosaionhiv1integraseandiplasmodiumfalciparumi AT ankewilhelm invitroandinsilicopotentialinhibitoryeffectsofnewbiflavonoidsfromiochnarhizomatosaionhiv1integraseandiplasmodiumfalciparumi AT eutropheledouxkamto invitroandinsilicopotentialinhibitoryeffectsofnewbiflavonoidsfromiochnarhizomatosaionhiv1integraseandiplasmodiumfalciparumi AT josephthierryndongo invitroandinsilicopotentialinhibitoryeffectsofnewbiflavonoidsfromiochnarhizomatosaionhiv1integraseandiplasmodiumfalciparumi AT xaviersiwenoundou invitroandinsilicopotentialinhibitoryeffectsofnewbiflavonoidsfromiochnarhizomatosaionhiv1integraseandiplasmodiumfalciparumi AT madanpoka invitroandinsilicopotentialinhibitoryeffectsofnewbiflavonoidsfromiochnarhizomatosaionhiv1integraseandiplasmodiumfalciparumi AT patrickhdemana invitroandinsilicopotentialinhibitoryeffectsofnewbiflavonoidsfromiochnarhizomatosaionhiv1integraseandiplasmodiumfalciparumi AT ruiwmkrause invitroandinsilicopotentialinhibitoryeffectsofnewbiflavonoidsfromiochnarhizomatosaionhiv1integraseandiplasmodiumfalciparumi AT josephinengombing invitroandinsilicopotentialinhibitoryeffectsofnewbiflavonoidsfromiochnarhizomatosaionhiv1integraseandiplasmodiumfalciparumi AT dieudonneemmanuelpegnyemb invitroandinsilicopotentialinhibitoryeffectsofnewbiflavonoidsfromiochnarhizomatosaionhiv1integraseandiplasmodiumfalciparumi AT christiangbochet invitroandinsilicopotentialinhibitoryeffectsofnewbiflavonoidsfromiochnarhizomatosaionhiv1integraseandiplasmodiumfalciparumi |