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All derivatives were screened for their anticancer activity against eight diverse human cancer cell lines (Capan-1, HCT-116, LN229, NCI\u2013H460, DND-41, HL-60, K562, and Z138). Compound\n                    <jats:bold>17<\/jats:bold>\n                    proved the most potent compound of the series inhibiting proliferation of most of the selected human cancer cell lines with IC\n                    <jats:sub>50<\/jats:sub>\n                    values in the low micromolar range. In addition, compound\n                    <jats:bold>11<\/jats:bold>\n                    exhibited IC\n                    <jats:sub>50<\/jats:sub>\n                    values ranging 8.60\u201364.0\u202f\u03bcM against a selection of cancer cell lines. These findings suggest that derivative\n                    <jats:bold>17<\/jats:bold>\n                    can potentially be a new lead compound for further development of novel antiproliferative agents. Additionally,\n                    <jats:bold>17\u201318<\/jats:bold>\n                    were assessed for their antibacterial and\u00a0antituberculosis activity. Derivatives\n                    <jats:bold>17<\/jats:bold>\n                    and\n                    <jats:bold>18<\/jats:bold>\n                    were the most potent compounds of this series against both\n                    <jats:italic>Staphylococcus aureus<\/jats:italic>\n                    strain Wichita and a methicillin resistant strain of\n                    <jats:italic>S.\u00a0aureus<\/jats:italic>\n                    (MRSA), as well as against\n                    <jats:italic>Mycobacterium tuberculosis<\/jats:italic>\n                    strain mc\n                    <jats:sup>2<\/jats:sup>\n                    6230. The antiviral activity of\n                    <jats:bold>7\u201318<\/jats:bold>\n                    was also evaluated against diverse viruses, but no activity was detected. The docking study of compound\n                    <jats:bold>17<\/jats:bold>\n                    with putative protein targets in acute myeloid leukemia had been\u00a0studied. Furthermore, the molecular dynamics simulation of\n                    <jats:bold>17<\/jats:bold>\n                    and\n                    <jats:bold>18<\/jats:bold>\n                    had been investigated.\n                  <\/jats:p>","DOI":"10.1515\/znc-2023-0146","type":"journal-article","created":{"date-parts":[[2024,4,5]],"date-time":"2024-04-05T02:50:31Z","timestamp":1712285431000},"page":"61-71","source":"Crossref","is-referenced-by-count":1,"title":["Novel 4-nitroimidazole analogues: synthesis,\n                    <i>in\u00a0vitro<\/i>\n                    biological evaluation,\n                    <i>in silico<\/i>\n                    studies, and molecular dynamics simulation"],"prefix":"10.1515","volume":"79","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-3357-3801","authenticated-orcid":false,"given":"Yaseen A.","family":"Al-Soud","sequence":"first","affiliation":[{"name":"Department of Chemistry, College of Science , University of Al al-Bayt , Al-Mafraq , Jordan"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Sondos O.","family":"Al-Sawakhnah","sequence":"additional","affiliation":[{"name":"Department of Chemistry, College of Science , University of Al al-Bayt , Al-Mafraq , Jordan"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Raed A.","family":"Al-Qawasmeh","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Pure and Applied Chemistry Group, College of Science , University of Sharjah , Sharjah 27272 , UAE"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6811-191X","authenticated-orcid":false,"given":"Najim A.","family":"Al-Masoudi","sequence":"additional","affiliation":[{"name":"Department of Chemistry, College of Science , University of Basrah , Basrah , Iraq"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Ala\u2019a H.","family":"Al-Ahmad","sequence":"additional","affiliation":[{"name":"Department of Chemistry, College of Science , University of Al al-Bayt , Al-Mafraq , Jordan"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Lamiaa","family":"Al-Maliki","sequence":"additional","affiliation":[{"name":"Department of Molecular and Medical Biotechnology , Al-Nahrain University , Baghdad , Iraq"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Lasse","family":"van Geelen","sequence":"additional","affiliation":[{"name":"Institute of Pharmaceutical Biology and Biotechnology , Heinrich\u00a0\u2013 Heine\u00a0\u2013 University D\u00fcsseldorf , Duesseldorf 40225 , Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Rainer","family":"Kalscheuer","sequence":"additional","affiliation":[{"name":"Institute of Pharmaceutical Biology and Biotechnology , Heinrich\u00a0\u2013 Heine\u00a0\u2013 University D\u00fcsseldorf , Duesseldorf 40225 , Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Bahjat A.","family":"Saeed","sequence":"additional","affiliation":[{"name":"Department of Chemistry, College of Education for Pure Science , University of Basrah , Basrah , Iraq"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Amneh","family":"Shtaiwi","sequence":"additional","affiliation":[{"name":"Faculty of Pharmacy , Middle East University , Queen Alia Airport Street, 11610 , Amman , Jordan"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Holger","family":"Stark","sequence":"additional","affiliation":[{"name":"Institute of Pharmaceutical and Medicinal Chemistry , Heinrich\u00a0\u2013 Heine\u00a0\u2013 University D\u00fcsseldorf , Universitaetsstr. 1, 40225 Duesseldorf , Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"374","published-online":{"date-parts":[[2024,4,8]]},"reference":[{"key":"2024043017505495538_j_znc-2023-0146_ref_001","doi-asserted-by":"crossref","unstructured":"Daraji, DG, Rajani, DP, Rajani, SD, Pithawala, EA, Jayanthi, S, Patel, HD. 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