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In this study, we present the first attempt to use a metabolomic approach to identify cytotoxic compounds from\n                    <jats:italic>A. indica<\/jats:italic>\n                    extract with potential anticancer properties. The leaves of\n                    <jats:italic>A. indica<\/jats:italic>\n                    were extracted using ethanol, ethyl acetate, chloroform, and\n                    <jats:italic>n<\/jats:italic>\n                    \u2010hexane. The cytotoxic activity against MCF\u20107 cells was evaluated, revealing 50% inhibition concentration (IC\n                    <jats:sub>50<\/jats:sub>\n                    ) values ranging from 51.88 \u00b1\u00a07.80 to 226.86 \u00b1\u00a013.27\u00a0\u00b5g\/mL. Metabolite profiling using liquid chromatography\u2013high\u2010resolution mass spectroscopy identified 27 metabolites and principal component analysis successfully differentiated the extracts, indicating variability in the compounds extracted using each solvent. To identify the cytotoxic compounds, orthogonal partial least\u2010squares discriminant analysis was used to correlate metabolite profiles with IC\n                    <jats:sub>50<\/jats:sub>\n                    values from the cytotoxic assay. From the results obtained, we successfully predicted six compounds contributing to the anticancer activity of\n                    <jats:italic>A. indica<\/jats:italic>\n                    , namely hernanol, 13(S)\u2010HpOTrE, (\u00b1)9\u2010HpODE, (+)\u2010catechin, traumatic acid, and one compound as assumed to be theobromine. In silico analysis predicted that (+)\u2010catechin and hernanol bind to the alpha\u2010estrogen receptor with an affinity similar to that of doxorubicin.\n                  <\/jats:p>","DOI":"10.1002\/cbdv.202402187","type":"journal-article","created":{"date-parts":[[2025,2,4]],"date-time":"2025-02-04T14:20:02Z","timestamp":1738678802000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":2,"title":["Liquid Chromatography\u2013High\u2010Resolution Mass Spectroscopy\u2010Based Metabolomics for Identification Cytotoxic Compounds From\n                    <i>Acalypha Indica<\/i>\n                    L. on MCF\u20107 Breast Cancer Cells as Potential Anticancer Agents"],"prefix":"10.1002","volume":"22","author":[{"given":"Elok Kamilah","family":"Hayati","sequence":"first","affiliation":[{"name":"Department of Chemistry, Faculty of Mathematics and Natural Sciences Brawijaya University, Jl. Veteran  Malang Indonesia"},{"name":"Department of Chemistry, Faculty of Science and Technology Universitas Islam Negeri Maulana Malik Ibrahim Malang, Jl. Gajayana No. 50  Malang Indonesia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Akhmad","family":"Sabarudin","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Faculty of Mathematics and Natural Sciences Brawijaya University, Jl. Veteran  Malang Indonesia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"family":"Aulanni'am","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Faculty of Mathematics and Natural Sciences Brawijaya University, Jl. Veteran  Malang Indonesia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Fachrur","family":"Rozi","sequence":"additional","affiliation":[{"name":"Department of Mathematics Faculty of Science and Technology Universitas Islam Negeri Maulana Malik Ibrahim Malang, Jl. Gajayana No. 50  Malang Indonesia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Dewi Anggraini","family":"Septaningsih","sequence":"additional","affiliation":[{"name":"Advanced Research Laboratory, Jl. Palem Raya IPB Dramaga Campus IPB University  Bogor Indonesia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5225-8703","authenticated-orcid":false,"given":"Mohamad","family":"Rafi","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Faculty of Mathematics and Natural Sciences IPB University, Jl. Tanjung IPB Dramaga Campus  Bogor Indonesia"},{"name":"Tropical Biopharmaca Research Center, International Research Institute of Food Nutrition, and Health, IPB Taman Kencana Campus, Jl Taman Kencana No. 3  Bogor Indonesia"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2025,2,4]]},"reference":[{"key":"e_1_2_8_2_1","doi-asserted-by":"publisher","DOI":"10.33096\/jffi.v5i1.317"},{"key":"e_1_2_8_3_1","doi-asserted-by":"publisher","DOI":"10.1088\/1755-1315\/31\/1\/012038"},{"key":"e_1_2_8_4_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.sajb.2024.07.064"},{"key":"e_1_2_8_5_1","doi-asserted-by":"publisher","DOI":"10.1186\/s40816-016-0027-2"},{"key":"e_1_2_8_6_1","doi-asserted-by":"publisher","DOI":"10.13005\/bpj\/1592"},{"key":"e_1_2_8_7_1","doi-asserted-by":"publisher","DOI":"10.20884\/1.jm.2012.7.1.103"},{"key":"e_1_2_8_8_1","doi-asserted-by":"publisher","DOI":"10.9790\/3008-0420107"},{"key":"e_1_2_8_9_1","doi-asserted-by":"publisher","DOI":"10.1007\/s13205-023-03705-w"},{"key":"e_1_2_8_10_1","first-page":"157","article-title":"Antioxidant and Anticancer Activities From Aerial Parts of Acalypha indica Linn","volume":"11","author":"Sanseera D.","year":"2015","journal-title":"Chiang Mai University Journal of Natural Sciences"},{"key":"e_1_2_8_11_1","doi-asserted-by":"publisher","DOI":"10.31254\/phyto.2017.6502"},{"key":"e_1_2_8_12_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.hermed.2020.100359"},{"key":"e_1_2_8_13_1","unstructured":"WHO. \u201cCancer Indonesia 2020 Country Profile \u201dhttps:\/\/www.who.int\/publications\/m\/item\/cancer\u2010idn\u2010(2020)."},{"key":"e_1_2_8_14_1","first-page":"4592","article-title":"Doxorubicin Treatment In Vivo Causes Cytochrome C Release and Cardiomyocyte Apoptosis, As Well As Increased Mitochondrial Efficiency, Superoxide Dismutase Activity, and Bcl\u20102:Bax Ratio","volume":"62","author":"Childs A. 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