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We used principal component analysis (PCA) to explore this tranche of chemical space. Applying a set of 17 two\u2010dimensional (2D) molecular descriptors, the chemical space was mapped in 2D PC space. Thereafter, the locations of known inhibitors and noninhibitors of synthetic hemozoin (\n                    <jats:italic>\u03b2<\/jats:italic>\n                    \u2010hematin) formation, a well\u2010established drug target during the asexual blood stage of the\n                    <jats:italic>Plasmodium falciparum<\/jats:italic>\n                    parasite life cycle, were superimposed onto the 2D map and counted. Within the +PC1, \u2212PC2 quadrant, an area of enrichment emerged that could be used to predict the activity of test compounds. A subset of 861 TCAMS compounds (45 inhibitors and 816 noninhibitors) yielded a 27% hit rate when filtered using the enrichment map. Thereafter, 81 diverse compounds with predicted activity were purchased and 20 (25%) were active.\n                    <jats:bold>B37<\/jats:bold>\n                    , which contains a pyrido carbazole scaffold, demonstrated potent\n                    <jats:italic>\u03b2<\/jats:italic>\n                    \u2010hematin formation inhibitory activity (IC\n                    <jats:sub>50<\/jats:sub>\n                    \u2009=\u20096.4\u2009\u00b1\u20090.19\u2009\u03bcM) as well as noteworthy activity against the chloroquine\u2010sensitive NF54 strain (IC\n                    <jats:sub>50<\/jats:sub>\n                    \u2009=\u20090.32\u2009\u00b1\u20090.03\u2009\u03bcM). The PCA enrichment map for\n                    <jats:italic>\u03b2<\/jats:italic>\n                    \u2010hematin inhibition is a useful tool for rapid identification of potential hit compounds and may be extended in the future to other antimalarial targets.\n                  <\/jats:p>","DOI":"10.1002\/cmdc.202500752","type":"journal-article","created":{"date-parts":[[2026,2,16]],"date-time":"2026-02-16T12:26:21Z","timestamp":1771244781000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["Exploration of Antiplasmodium Chemical Space Identifies New Inhibitors of\n                    <i>\u03b2<\/i>\n                    \u2010Hematin Formation from Areas of Enrichment"],"prefix":"10.1002","volume":"21","author":[{"given":"Jessica L.","family":"Thibaud","sequence":"first","affiliation":[{"name":"Department of Chemistry and Polymer Science Stellenbosch University  South Africa"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Dirkie C.","family":"Myburgh","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Polymer Science Stellenbosch University  South Africa"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Rebecca D.","family":"Sandlin","sequence":"additional","affiliation":[{"name":"Department of Chemistry Vanderbilt University  Nashville Tennessee USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Kim Y.","family":"Fong","sequence":"additional","affiliation":[{"name":"Department of Chemistry Vanderbilt University  Nashville Tennessee USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Larnelle F.","family":"Garnie","sequence":"additional","affiliation":[{"name":"Department of Chemistry University of Cape Town  Rondebosch South Africa"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Kathryn J.","family":"Wicht","sequence":"additional","affiliation":[{"name":"Department of Chemistry University of Cape Town  Rondebosch South Africa"},{"name":"South African Medical Research Council Drug Discovery and Development Research Unit Holistic Drug Discovery and Development (H3D) Centre University of Cape Town  Rondebosch South Africa"},{"name":"Institute of Infectious Diseases and Molecular Medicine University of Cape Town  Observatory South Africa"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"David","family":"Kuter","sequence":"additional","affiliation":[{"name":"GenAIRx  Toronto Canada"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"David W.","family":"Wright","sequence":"additional","affiliation":[{"name":"Department of Chemistry Vanderbilt University  Nashville Tennessee USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Timothy J.","family":"Egan","sequence":"additional","affiliation":[{"name":"Department of Chemistry University of Cape Town  Rondebosch South Africa"},{"name":"Institute of Infectious Diseases and Molecular Medicine University of Cape Town  Observatory South Africa"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2932-395X","authenticated-orcid":false,"given":"Katherine A.","family":"de Villiers","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Polymer Science Stellenbosch University  South Africa"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2026,2,16]]},"reference":[{"key":"e_1_2_11_2_1","unstructured":"World Health Organisation 2024."},{"key":"e_1_2_11_3_1","doi-asserted-by":"crossref","DOI":"10.1051\/parasite\/2018021","article-title":"Plasmodium Falciparum Resistance to Artemisinin\u2010Based Combination Therapies: A Sword of Damocles in the Path toward Malaria Elimination","volume":"25","author":"Ouji M.","year":"2018","journal-title":"Parasite"},{"key":"e_1_2_11_4_1","doi-asserted-by":"crossref","first-page":"290","DOI":"10.1084\/jem.13.2.290","article-title":"Malaria Pigment (so\u2010Called Melanin): Its Nature and Mode of Production","volume":"13","author":"Brown W.","year":"1911","journal-title":"The Journal of Experimental Medicine"},{"key":"e_1_2_11_5_1","doi-asserted-by":"crossref","first-page":"138","DOI":"10.1038\/378138a0","article-title":"Haem Polymerisation in Malaria","volume":"378","author":"Bendrat K.","year":"1995","journal-title":"Nature"},{"key":"e_1_2_11_6_1","doi-asserted-by":"crossref","first-page":"115","DOI":"10.1016\/S1477-3627(03)02310-9","article-title":"Haemozoin (Malaria Pigment): A Unique Crystalline Drug Target","volume":"2","author":"Egan T. 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