HIV-1 Reverse Transcriptase Inhibition by Major Compounds in a Kenyan Multi-Herbal Composition (CareVid™): In Vitro and In Silico Contrast
CareVid is a multi-herbal product used in southwest Kenya as an immune booster and health tonic and has been anecdotally described as improving the condition of HIV-positive patients. The product is made up of roots, barks and whole plant of 14 African medicinal plants: <i>Acacia nilotica</...
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| Format: | Article |
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MDPI AG
2021-09-01
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| Series: | Pharmaceuticals |
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| Online Access: | https://www.mdpi.com/1424-8247/14/10/1009 |
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| author | Winnie Rotich Nicholas J. Sadgrove Eduard Mas-Claret Guillermo F. Padilla-González Anastasia Guantai Moses K. Langat |
| author_facet | Winnie Rotich Nicholas J. Sadgrove Eduard Mas-Claret Guillermo F. Padilla-González Anastasia Guantai Moses K. Langat |
| author_sort | Winnie Rotich |
| collection | DOAJ |
| description | CareVid is a multi-herbal product used in southwest Kenya as an immune booster and health tonic and has been anecdotally described as improving the condition of HIV-positive patients. The product is made up of roots, barks and whole plant of 14 African medicinal plants: <i>Acacia nilotica</i> (L.) Willd. ex Delile (currently, <i>Vachelia nilotica</i> (L.) P.J.H Hurter & Mabb.), <i>Adenia gummifera</i> (Harv.) Harms, <i>Anthocleista grandiflora</i> Gilg, <i>Asparagus africanus</i> Lam., <i>Bersama abyssinica</i> Fresen., <i>Clematis hirsuta</i> Guill. & Perr., <i>Croton macrostachyus</i> Hochst. ex Delile, <i>Clutia robusta</i> Pax (accepted as <i>Clutia kilimandscharica</i> Engl.), <i>Dovyalis abyssinica</i> (A. Rich.) Warb, <i>Ekebergia capensis</i> Sparm., <i>Periploca linearifolia</i> Quart.-Dill. & A. Rich., <i>Plantago palmata</i> Hook.f., <i>Prunus africana</i> Hook.f. Kalkman and <i>Rhamnus prinoides</i> L’Her. The objective of this study was to determine the major chemical constituents of CareVid solvent extracts and screen them for in vitro and in silico activity against the HIV-1 reverse transcriptase enzyme. To achieve this, CareVid was separately extracted using CH<sub>2</sub>Cl<sub>2</sub>, MeOH, 80% EtOH in H<sub>2</sub>O, cold H<sub>2</sub>O, hot H<sub>2</sub>O and acidified H<sub>2</sub>O (pH 1.5–3.5). The extracts were analysed using HPLC–MS equipped with UV diode array detection. HIV-1 reverse transcriptase inhibition was performed in vitro and compared to in silico HIV-1 reverse transcriptase inhibition, with the latter carried out using MOE software, placing the docking on the hydrophobic pocket in the subdomain of p66, the NNRTI pocket. The MeOH and 80% EtOH extracts showed strong in vitro HIV-1 reverse transcriptase inhibition, with an EC<sub>50</sub> of 7 μg·mL<sup>−1</sup>. The major components were identified as sucrose, citric acid, ellagic acid, catechin 3-hexoside, epicatechin 3-hexoside, procyanidin B, hesperetin <i>O</i>-rutinoside, pellitorine, mangiferin, isomangiferin, 4-<i>O</i>-coumaroulquinic acid, ellagic acid, ellagic acid <i>O</i>-pentoside, crotepoxide, oleuropein, magnoflorine, tremulacin and an isomer of dammarane tetrol. Ellagic acid and procyanidin B inhibited the HIV-1 reverse transcription process at 15 and 3.2 µg/mL<sup>−1</sup>, respectively. Docking studies did not agree with in vitro results because the best scoring ligand was crotepoxide (ΔG = −8.55 kcal/mol), followed by magnoflorine (ΔG = −8.39 kcal/mol). This study showed that CareVid has contrasting in vitro and in silico activity against HIV-1 reverse transcriptase. However, the strongest in vitro inhibitors were ellagic acid and procyanidin B. |
| first_indexed | 2024-03-10T06:17:02Z |
| format | Article |
| id | doaj.art-3f25fe7d8484486b91148a70c44414a2 |
| institution | Directory Open Access Journal |
| issn | 1424-8247 |
| language | English |
| last_indexed | 2024-03-10T06:17:02Z |
| publishDate | 2021-09-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Pharmaceuticals |
| spelling | doaj.art-3f25fe7d8484486b91148a70c44414a22023-11-22T19:36:00ZengMDPI AGPharmaceuticals1424-82472021-09-011410100910.3390/ph14101009HIV-1 Reverse Transcriptase Inhibition by Major Compounds in a Kenyan Multi-Herbal Composition (CareVid™): In Vitro and In Silico ContrastWinnie Rotich0Nicholas J. Sadgrove1Eduard Mas-Claret2Guillermo F. Padilla-González3Anastasia Guantai4Moses K. Langat5Sigowet-Soin Sub-County Hospital, Sondu-Kapsoit Road, Sigowet, Kericho County, P.O. Box 112, Kericho 20200, KenyaRoyal Botanic Gardens, Kew, Kew Green, Richmond, Surrey TW9 3AE, UKRoyal Botanic Gardens, Kew, Kew Green, Richmond, Surrey TW9 3AE, UKRoyal Botanic Gardens, Kew, Kew Green, Richmond, Surrey TW9 3AE, UKDepartment of Pharmacology and Pharmacognosy, School of Pharmacy, University of Nairobi, P.O. Box 19676-00202, Nairobi 00100, KenyaRoyal Botanic Gardens, Kew, Kew Green, Richmond, Surrey TW9 3AE, UKCareVid is a multi-herbal product used in southwest Kenya as an immune booster and health tonic and has been anecdotally described as improving the condition of HIV-positive patients. The product is made up of roots, barks and whole plant of 14 African medicinal plants: <i>Acacia nilotica</i> (L.) Willd. ex Delile (currently, <i>Vachelia nilotica</i> (L.) P.J.H Hurter & Mabb.), <i>Adenia gummifera</i> (Harv.) Harms, <i>Anthocleista grandiflora</i> Gilg, <i>Asparagus africanus</i> Lam., <i>Bersama abyssinica</i> Fresen., <i>Clematis hirsuta</i> Guill. & Perr., <i>Croton macrostachyus</i> Hochst. ex Delile, <i>Clutia robusta</i> Pax (accepted as <i>Clutia kilimandscharica</i> Engl.), <i>Dovyalis abyssinica</i> (A. Rich.) Warb, <i>Ekebergia capensis</i> Sparm., <i>Periploca linearifolia</i> Quart.-Dill. & A. Rich., <i>Plantago palmata</i> Hook.f., <i>Prunus africana</i> Hook.f. Kalkman and <i>Rhamnus prinoides</i> L’Her. The objective of this study was to determine the major chemical constituents of CareVid solvent extracts and screen them for in vitro and in silico activity against the HIV-1 reverse transcriptase enzyme. To achieve this, CareVid was separately extracted using CH<sub>2</sub>Cl<sub>2</sub>, MeOH, 80% EtOH in H<sub>2</sub>O, cold H<sub>2</sub>O, hot H<sub>2</sub>O and acidified H<sub>2</sub>O (pH 1.5–3.5). The extracts were analysed using HPLC–MS equipped with UV diode array detection. HIV-1 reverse transcriptase inhibition was performed in vitro and compared to in silico HIV-1 reverse transcriptase inhibition, with the latter carried out using MOE software, placing the docking on the hydrophobic pocket in the subdomain of p66, the NNRTI pocket. The MeOH and 80% EtOH extracts showed strong in vitro HIV-1 reverse transcriptase inhibition, with an EC<sub>50</sub> of 7 μg·mL<sup>−1</sup>. The major components were identified as sucrose, citric acid, ellagic acid, catechin 3-hexoside, epicatechin 3-hexoside, procyanidin B, hesperetin <i>O</i>-rutinoside, pellitorine, mangiferin, isomangiferin, 4-<i>O</i>-coumaroulquinic acid, ellagic acid, ellagic acid <i>O</i>-pentoside, crotepoxide, oleuropein, magnoflorine, tremulacin and an isomer of dammarane tetrol. Ellagic acid and procyanidin B inhibited the HIV-1 reverse transcription process at 15 and 3.2 µg/mL<sup>−1</sup>, respectively. Docking studies did not agree with in vitro results because the best scoring ligand was crotepoxide (ΔG = −8.55 kcal/mol), followed by magnoflorine (ΔG = −8.39 kcal/mol). This study showed that CareVid has contrasting in vitro and in silico activity against HIV-1 reverse transcriptase. However, the strongest in vitro inhibitors were ellagic acid and procyanidin B.https://www.mdpi.com/1424-8247/14/10/1009CareVidreverse transcriptionin silicoin vitrochemistry |
| spellingShingle | Winnie Rotich Nicholas J. Sadgrove Eduard Mas-Claret Guillermo F. Padilla-González Anastasia Guantai Moses K. Langat HIV-1 Reverse Transcriptase Inhibition by Major Compounds in a Kenyan Multi-Herbal Composition (CareVid™): In Vitro and In Silico Contrast Pharmaceuticals CareVid reverse transcription in silico in vitro chemistry |
| title | HIV-1 Reverse Transcriptase Inhibition by Major Compounds in a Kenyan Multi-Herbal Composition (CareVid™): In Vitro and In Silico Contrast |
| title_full | HIV-1 Reverse Transcriptase Inhibition by Major Compounds in a Kenyan Multi-Herbal Composition (CareVid™): In Vitro and In Silico Contrast |
| title_fullStr | HIV-1 Reverse Transcriptase Inhibition by Major Compounds in a Kenyan Multi-Herbal Composition (CareVid™): In Vitro and In Silico Contrast |
| title_full_unstemmed | HIV-1 Reverse Transcriptase Inhibition by Major Compounds in a Kenyan Multi-Herbal Composition (CareVid™): In Vitro and In Silico Contrast |
| title_short | HIV-1 Reverse Transcriptase Inhibition by Major Compounds in a Kenyan Multi-Herbal Composition (CareVid™): In Vitro and In Silico Contrast |
| title_sort | hiv 1 reverse transcriptase inhibition by major compounds in a kenyan multi herbal composition carevid™ in vitro and in silico contrast |
| topic | CareVid reverse transcription in silico in vitro chemistry |
| url | https://www.mdpi.com/1424-8247/14/10/1009 |
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