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Using a\u00a0facile and robust protocol, fifteen unsymmetrical carbamide derivatives (\n                    <jats:bold>9\u201323<\/jats:bold>\n                    ) bearing different aliphatic amine moieties were designed and synthesized by the reaction of secondary aliphatic amines with isocyanate derivatives in the presence of acetonitrile as an appropriate solvent in good to excellent yields. Trusted instruments like IR, mass spectrometry, NMR spectra, and elemental analyses were employed to validate the purity and chemical structures of the synthesized compounds. All the synthesized compounds were tested as antimicrobial agents against some clinically bacterial pathogens such as\n                    <jats:italic>Salmonella typhimurium<\/jats:italic>\n                    ,\n                    <jats:italic>Bacillus subtilis, Pseudomonas aeruginosa<\/jats:italic>\n                    ,\n                    <jats:italic>Staphylococcus aureus<\/jats:italic>\n                    and\n                    <jats:italic>Candida albicans<\/jats:italic>\n                    . Compounds\n                    <jats:bold>15<\/jats:bold>\n                    ,\n                    <jats:bold>16<\/jats:bold>\n                    ,\n                    <jats:bold>17<\/jats:bold>\n                    ,\n                    <jats:bold>19<\/jats:bold>\n                    and\n                    <jats:bold>22<\/jats:bold>\n                    showed potent antimicrobial activity with promising MIC values compared to the positive controls. Moreover, compounds\n                    <jats:bold>15<\/jats:bold>\n                    and\n                    <jats:bold>22<\/jats:bold>\n                    provide a potent lipid peroxidation (LPO) of the bacterial cell wall. On the other hand, we investigated the anti-proliferative activity of compounds\n                    <jats:bold>9\u201323<\/jats:bold>\n                    against selected human cancerous cell lines of breast (MCF-7), colon (HCT-116), and lung (A549) relative to healthy noncancerous control skin fibroblast cells (BJ-1). The mechanism of their cytotoxic activity has been also examined by immunoassaying the levels of key anti- and pro-apoptotic protein markers. The results of MTT assay revealed that compounds\n                    <jats:bold>10<\/jats:bold>\n                    ,\n                    <jats:bold>13<\/jats:bold>\n                    ,\n                    <jats:bold>21<\/jats:bold>\n                    ,\n                    <jats:bold>22<\/jats:bold>\n                    and\n                    <jats:bold>23<\/jats:bold>\n                    possessed highly cytotoxic effects. Out of these, three synthesized compounds\n                    <jats:bold>13<\/jats:bold>\n                    ,\n                    <jats:bold>21<\/jats:bold>\n                    and\n                    <jats:bold>22<\/jats:bold>\n                    showed cytotoxicity with IC\n                    <jats:sub>50<\/jats:sub>\n                    values (\n                    <jats:bold>13<\/jats:bold>\n                    , IC\n                    <jats:sub>50<\/jats:sub>\n                    \u2009=\u200962.4\u2009\u00b1\u20090.128 and\n                    <jats:bold>22<\/jats:bold>\n                    , IC\n                    <jats:sub>50<\/jats:sub>\n                    \u2009=\u200991.6\u2009\u00b1\u20090.112\u00a0\u00b5M, respectively, on MCF-7), (\n                    <jats:bold>13<\/jats:bold>\n                    , IC\n                    <jats:sub>50<\/jats:sub>\n                    \u2009=\u200943.5\u2009\u00b1\u20090.15 and\n                    <jats:bold>21<\/jats:bold>\n                    , IC\n                    <jats:sub>50<\/jats:sub>\n                    \u2009=\u200938.5\u2009\u00b1\u20090.17\u00a0\u00b5M, respectively, on HCT-116). Cell cycle and apoptosis\/necrosis assays demonstrated that compounds\n                    <jats:bold>13<\/jats:bold>\n                    and\n                    <jats:bold>22<\/jats:bold>\n                    induced S and G2\/M phase cell cycle arrest in MCF-7 cells, while only compound\n                    <jats:bold>13<\/jats:bold>\n                    had this effect on HCT-116 cells. Furthermore, compound\n                    <jats:bold>13<\/jats:bold>\n                    exhibited the greatest potency in inducing apoptosis in both cell lines compared to compounds\n                    <jats:bold>21<\/jats:bold>\n                    and\n                    <jats:bold>22<\/jats:bold>\n                    . Docking studies indicated that compounds\n                    <jats:bold>10<\/jats:bold>\n                    ,\n                    <jats:bold>13<\/jats:bold>\n                    ,\n                    <jats:bold>21<\/jats:bold>\n                    and\n                    <jats:bold>23<\/jats:bold>\n                    could potentially inhibit enzymes and exert promising antimicrobial effects, as evidenced by their lower binding energies and various types of interactions observed at the active sites of key enzymes such as Sterol 14-demethylase of\n                    <jats:italic>C. albicans<\/jats:italic>\n                    , Dihydropteroate synthase of\n                    <jats:italic>S. aureus<\/jats:italic>\n                    , LasR of\n                    <jats:italic>P. aeruginosa<\/jats:italic>\n                    , Glucosamine-6-phosphate synthase of\n                    <jats:italic>K<\/jats:italic>\n                    .\n                    <jats:italic>pneumenia<\/jats:italic>\n                    and Gyrase B of\n                    <jats:italic>B. subtilis<\/jats:italic>\n                    . Moreover,\n                    <jats:bold>13<\/jats:bold>\n                    ,\n                    <jats:bold>21<\/jats:bold>\n                    , and\n                    <jats:bold>22<\/jats:bold>\n                    demonstrated minimal binding energy and favorable affinity towards the active pocket of anticancer receptor proteins, including CDK2, EGFR, Er\u03b1, Topoisomerase II and VEGFFR. Physicochemical properties, drug-likeness, and ADME (absorption, distribution, metabolism, excretion, and toxicity) parameters of the selected compounds were also computed.\n                  <\/jats:p>","DOI":"10.1038\/s41598-024-65308-6","type":"journal-article","created":{"date-parts":[[2024,7,4]],"date-time":"2024-07-04T12:02:56Z","timestamp":1720094576000},"update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":39,"title":["Green, facile synthesis and evaluation of unsymmetrical carbamide derivatives as antimicrobial and anticancer agents with mechanistic insights"],"prefix":"10.1038","volume":"14","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-1283-2157","authenticated-orcid":false,"given":"Farid M.","family":"Sroor","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ahmed A. 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