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Malignant tumors pose a serious threat to human health, reducing quality of life. Natural antitumor drugs play a vital role in the treatment of cancer. <i>Sophora alopecuroides</i>, a traditional Chinese medicine not a part of the Chinese Pharmacopoeia, grows in the arid desert and edge zone of grassland. Previous studies have extensively investigated the antitumor effects of <i>S. alopecuroides</i> and its major alkaloids. Of these, aloperine, matrine, oxymatrine, sophoridine, and sophocarpine have received the most attention. In recent years, a variety of extraction and separation methods have been applied to the study of the alkaloids of <i>Sophora alopecuroides</i>, which has greatly promoted the study of the chemical constituents and pharmacological activities of the plant. <i>S. alopecuroides</i> has been shown to impede cancer cell growth, induce cell cycle arrest, enhance apoptosis and cellular differentiation, and impede cancer metastasis and invasion. Several mechanisms have been proposed for modulating cancer signaling and molecular pathways or targets based on multitudinous studies in various types of cancerous cells. This review provides an in-depth overview of the antitumor effects of <i>S. alopecuroides</i> and the potential targets of 12 alkaloids in <i>S. alopecuroides</i> via a pharmacophore mapping approach and offers a scientific basis for the further exploration of the mechanism related to the antitumor effects of this plant.