{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,2,28]],"date-time":"2026-02-28T04:29:40Z","timestamp":1772252980751,"version":"3.50.1"},"reference-count":56,"publisher":"MDPI AG","issue":"1","license":[{"start":{"date-parts":[[2020,12,25]],"date-time":"2020-12-25T00:00:00Z","timestamp":1608854400000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100001655","name":"DAAD","doi-asserted-by":"publisher","award":["FNK"],"award-info":[{"award-number":["FNK"]}],"id":[{"id":"10.13039\/501100001655","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100005156","name":"Alexander von Humboldt-Stiftung","doi-asserted-by":"publisher","award":["FNK"],"award-info":[{"award-number":["FNK"]}],"id":[{"id":"10.13039\/100005156","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Molecules"],"abstract":"<jats:p>A new iboga-vobasine-type isomeric bisindole alkaloid named voacamine A (1), along with eight known compounds\u2014voacangine (2), voacristine (3), coronaridine (4), tabernanthine (5), iboxygaine (6), voacamine (7), voacorine (8) and conoduramine (9)\u2014were isolated from the stem bark of Voacangaafricana. The structures of the compounds were determined by comprehensive spectroscopic analyses. Compounds 1, 2, 3, 4, 6, 7 and 8 were found to inhibit the motility of both the microfilariae (Mf) and adult male worms of Onchocerca ochengi, in a dose-dependent manner, but were only moderately active on the adult female worms upon biochemical assessment at 30 \u03bcM drug concentrations. The IC50 values of the isolates are 2.49\u20135.49 \u00b5M for microfilariae and 3.45\u201317.87 \u00b5M for adult males. Homology modeling was used to generate a 3D model of the O. ochengi thioredoxin reductase target and docking simulation, followed by molecular dynamics and binding free energy calculations attempted to offer an explanation of the anti-onchocercal structure\u2013activity relationship (SAR) of the isolated compounds. These alkaloids are new potential leads for the development of antifilarial drugs. The results of this study validate the traditional use of V. africana in the treatment of human onchocerciasis.<\/jats:p>","DOI":"10.3390\/molecules26010070","type":"journal-article","created":{"date-parts":[[2020,12,25]],"date-time":"2020-12-25T09:30:19Z","timestamp":1608888619000},"page":"70","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":14,"title":["Alkaloids with Anti-Onchocercal Activity from Voacanga africana Stapf (Apocynaceae): Identification and Molecular Modeling"],"prefix":"10.3390","volume":"26","author":[{"given":"Smith B.","family":"Babiaka","sequence":"first","affiliation":[{"name":"Department of Chemistry, Faculty of Science, University of Buea, P.O. Box 63, Buea CM-00237, Cameroon"},{"name":"AgroEco Health Platform, International Institute of Tropical Agriculture, Cotonou, Abomey-Calavi BEN-00229, Benin"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5958-6961","authenticated-orcid":false,"given":"Conrad V.","family":"Simoben","sequence":"additional","affiliation":[{"name":"Institute for Pharmacy, Martin-Luther-Universit\u00e4t Halle-Wittenberg, Kurt-Mothes-Str. 3, 06120 Halle, Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Kennedy O.","family":"Abuga","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Chemistry, School of Pharmacy, University of Nairobi, Nairobi P.O. Box 19676\u201300202, Kenya"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"James A.","family":"Mbah","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Faculty of Science, University of Buea, P.O. Box 63, Buea CM-00237, Cameroon"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1247-5754","authenticated-orcid":false,"given":"Rajshekhar","family":"Karpoormath","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Chemistry, School of Chemistry, University of KwaZulu-Natal, Durban 4001, South Africa"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4385-4271","authenticated-orcid":false,"given":"Dennis","family":"Ongarora","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Chemistry, School of Pharmacy, University of Nairobi, Nairobi P.O. Box 19676\u201300202, Kenya"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Hannington","family":"Mugo","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Chemistry, School of Pharmacy, University of Nairobi, Nairobi P.O. Box 19676\u201300202, Kenya"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Elvis","family":"Monya","sequence":"additional","affiliation":[{"name":"ANDI Centre of Excellence for Onchocerciasis Drug Research, Biotechnology Unit, Faculty of Science, University of Buea, P.O. Box 63, Buea CM-00237, Cameroon"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Fidelis","family":"Cho-Ngwa","sequence":"additional","affiliation":[{"name":"ANDI Centre of Excellence for Onchocerciasis Drug Research, Biotechnology Unit, Faculty of Science, University of Buea, P.O. Box 63, Buea CM-00237, Cameroon"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5985-9261","authenticated-orcid":false,"given":"Wolfgang","family":"Sippl","sequence":"additional","affiliation":[{"name":"Institute for Pharmacy, Martin-Luther-Universit\u00e4t Halle-Wittenberg, Kurt-Mothes-Str. 3, 06120 Halle, Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Edric Joel","family":"Loveridge","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Swansea University, Singleton Park, Swansea SA2 8PP, UK"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0795-394X","authenticated-orcid":false,"given":"Fidele","family":"Ntie-Kang","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Faculty of Science, University of Buea, P.O. Box 63, Buea CM-00237, Cameroon"},{"name":"Institute for Pharmacy, Martin-Luther-Universit\u00e4t Halle-Wittenberg, Kurt-Mothes-Str. 3, 06120 Halle, Germany"},{"name":"Institute of Botany, Technical University of Dresden, 01217 Dresden, Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"1968","published-online":{"date-parts":[[2020,12,25]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"59","DOI":"10.1016\/S0944-7113(99)80036-1","article-title":"Biological screening of traditional preparations from some medicinal plants used as antidiarrhoeal in Kinshasa, Congo","volume":"6","author":"Tona","year":"1999","journal-title":"Phytomedicine"},{"key":"ref_2","doi-asserted-by":"crossref","first-page":"17","DOI":"10.1016\/j.phytol.2015.08.015","article-title":"Synthesis and acetylcholinesterase inhibitory activities of tabersonine derivatives","volume":"14","author":"Liu","year":"2015","journal-title":"Phytochem. 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