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BACKGROUND: The merits of ethnomedicine-led approachto identify and prioritize anticancer medicinal plants havebeen challenged as cancer is more likely to be poorlyunderstood in traditional medicine practices. Nonetheless, itis also believed that useful data can be generated bycombining ethnobotanical findings with available scientificstudies. Thus, this study combined an ethnobtanical studywith ligand based in silico screening to identify relevantmedical plants and predict their anticancer potential based ontheir phytoconstiutents reported in scientific literatures.METHODS: First, relevant medicinal plants were identifiedthrough an ethnobotanical survey. A list of phytochemicals wasprepared based on literature review of articles which reported onthe natural products of identified medicinal plants. Then, theirphytochemicals were subjected to in silico evaluation, whichincluded a hybrid score similarity measure, rule of five, Ghose–Viswanadhan–Wendoloski (GVW)-indices and structural featurescriteria, to predict their anticancer activity and drugability.RESULTS: A total of 18 medicinal plants and 265phytoconstituents were identified. The natural product poolconstituted 109(41.13%) terpenoids, 67(25.28%) phenolics,29(10.94%) simple and functionalized hydrocarbons,26(9.81%) alkaloids, 25(9.43%) glycosides and 9(3.40%)compounds belonging to different phytochemical classes. Thesimilarity measure using CDRUG identified 34(12.73%)phytochemicals with high (p-Value < 0.05) and 35(13.21%)with moderate possibility (p-Value < 0.1) of anticanceractivity. In fact, three of the predicted compounds had thesame structure with known anticancer compounds(HSCORE=1). The 80% GVW-indices based antineoplasticdrugabilityranges were all mate by 25 of the predictedcompounds. Predicted compounds were also shown to havering structures and functional groups deemed important foranticancer activity.CONCLUSIONS: Given the findings, there is apromising anticancer activity by thetraditionally used medicinal plants and apotential for the predicted phytochemicals to bepursued as possible hits or me-too drugs.