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Bullock (Apocynaceae) is traditionally used to treat various ailments. However, it lacks systematic scientific validation. This study investigated the phytochemical composition and biological activities of methanolic, ethyl acetate, and hexane leaf extracts. Among them, the methanolic extract showed the highest extractive yield as well as the greatest phenolic (16.5\u00a0mg GAE\/g) and flavonoid (20\u00a0mg QE\/g) contents. It also exhibited strong antioxidant activity (DPPH IC\n                    <jats:sub>50<\/jats:sub>\n                    = 14.85\u00a0\u00b5g\/mL; ABTS IC\n                    <jats:sub>50<\/jats:sub>\n                    = 26.13\u00a0\u00b5g\/mL; TAC OD = 0.18), notable antibacterial efficacy against\n                    <jats:italic>Staphylococcus aureus<\/jats:italic>\n                    (22 \u00b1 0.3\u00a0mm; MIC = 24\u00a0\u00b5g\/mL), and significant anti\u2010inflammatory activity (protein denaturation IC\n                    <jats:sub>50<\/jats:sub>\n                    = 12.81\u00a0\u00b5g\/mL). The methanolic extract also demonstrated the highest cytotoxicity against HT\u201029 colon cancer cells (IC\n                    <jats:sub>50<\/jats:sub>\n                    = 65.62\u00a0\u00b5g\/mL). Gas chromatography\u2010mass spectrometry (GC\u2013MS) and liquid chromatography mass spectrometry (LC\u2013MS) analyses identified key bioactive compounds. Molecular docking revealed strong binding affinities of major constituents, particularly octadecanedioic acid, cyclohexane derivatives, and n\u2010octacosanol, toward the colorectal cancer target DCAF1\/VprBP (3WA0). Further validation through a 100\u00a0ns molecular dynamics simulation and MM\u2010PBSA analysis confirmed stable binding with minimal RMSD fluctuations. Overall, these findings highlight the therapeutic potential of\n                    <jats:italic>P. capensis<\/jats:italic>\n                    and support its further in vivo evaluation for cancer treatment.\n                  <\/jats:p>","DOI":"10.1002\/cbdv.202501646","type":"journal-article","created":{"date-parts":[[2026,3,8]],"date-time":"2026-03-08T12:44:29Z","timestamp":1772973869000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["<i>Pentatropis capensis<\/i>\n                    \u2010Derived Phyto\u2010Compounds: In Silico Analysis Targeting of DCAF1\/VprBP in Colorectal Cancer and Biochemical Studies"],"prefix":"10.1002","volume":"23","author":[{"given":"Lavanya","family":"Ganesan","sequence":"first","affiliation":[{"name":"Ethnopharmacology and Algal Biotechnology Laboratory, Department of Botany Periyar University Salem Tamil Nadu India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Sri Kalpana","family":"Kumaravel","sequence":"additional","affiliation":[{"name":"Ethnopharmacology and Algal Biotechnology Laboratory, Department of Botany Periyar University Salem Tamil Nadu India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Gurusaravanan","family":"Packiaraj","sequence":"additional","affiliation":[{"name":"Department of Botany Bharathiar University  Coimbatore Tamil Nadu India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Viji","family":"Maluventhen","sequence":"additional","affiliation":[{"name":"PG and Research Department of Botany Thiagarajar College  Madurai Tamil Nadu India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Murugan","family":"Pitchai","sequence":"additional","affiliation":[{"name":"Department of Gunapadam Marunthiyal Sri Sai Ram Siddha Medical College and Research Centre  Chennai Tamil Nadu India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Balasubramanian","family":"Balamuralikrishnan","sequence":"additional","affiliation":[{"name":"Department of Food Science and Biotechnology College of Life Science, Sejong University  Seoul South Korea"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1667-3675","authenticated-orcid":false,"given":"Maruthupandian","family":"Arumugam","sequence":"additional","affiliation":[{"name":"Ethnopharmacology and Algal Biotechnology Laboratory, Department of Botany Periyar University Salem Tamil Nadu India"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2026,2,25]]},"reference":[{"key":"e_1_2_10_2_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.jafr.2023.100583"},{"key":"e_1_2_10_3_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.phytochem.2021.112799"},{"key":"e_1_2_10_4_1","doi-asserted-by":"publisher","DOI":"10.1007\/s00204\u2010024\u201003696\u20104"},{"key":"e_1_2_10_5_1","doi-asserted-by":"publisher","DOI":"10.3389\/fphys.2020.00694"},{"key":"e_1_2_10_6_1","doi-asserted-by":"publisher","DOI":"10.1007\/s12010\u2010022\u201004266\u2010z"},{"key":"e_1_2_10_7_1","doi-asserted-by":"publisher","DOI":"10.1007\/s10555\u2010023\u201010158\u20103"},{"key":"e_1_2_10_8_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.jics.2024.101513"},{"key":"e_1_2_10_9_1","article-title":"Computational and Experimental Insights Into Azo\u2010Containing Aroylhydrazones: A Promising Class of CDK2 Inhibitors","volume":"102","author":"Ye\u015fil T. 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