{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,7]],"date-time":"2026-10-07T06:53:05Z","timestamp":1791355985060,"version":"4.3.1"},"reference-count":56,"publisher":"Wiley","issue":"4","license":[{"start":{"date-parts":[[2026,6,14]],"date-time":"2026-06-14T00:00:00Z","timestamp":1781395200000},"content-version":"vor","delay-in-days":13,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"},{"start":{"date-parts":[[2026,6,1]],"date-time":"2026-06-01T00:00:00Z","timestamp":1780272000000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/doi.wiley.com\/10.1002\/tdm_license_1.1"}],"content-domain":{"domain":["analyticalsciencejournals.onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Drug Development Research"],"published-print":{"date-parts":[[2026,6]]},"abstract":"<jats:title>ABSTRACT<\/jats:title>\n                  <jats:p>Casein Kinase\u20102 (CK2) and Proviral Integration site for Moloney murine leukemia virus\u20101 (PIM\u20101) are kinases that are continuously active and work together to promote oncogenesis, thus becoming an important target for anti\u2010cancer drugs. This research highlights the design, synthesis, and in silico evaluation of a new class of azo\u2013Schiff bases bearing benzimidazole moieties (A1\u2013A7) as potential dual inhibitors of CK2\/PIM\u20101 targets. The compounds were synthesized using diazotization\/azocoupling reaction and Schiff's base condensation reactions, where structural elucidation was accomplished through FT\u2010IR, 1H NMR, and 13C NMR analyses. The molecular docking process was performed using the GOLD docking program against ATP\u2010binding sites on CK2 (PDB: 4DTK) and PIM\u20101 (PDB: 4KWP), followed by MD simulation for 100\u2009ns using GROMACS software. Through computational screening, molecules A4 and A6 were found to be the most potent dual inhibitors. Compound A6 displayed the greatest affinity to CK2 with a PLP fitness value of 81.33, whereas compound A4 displayed the highest affinity to PIM\u20101 with a PLP fitness value of 86.80. The interesting thing is that both compounds revealed very good cross\u2010reactivity to both enzymes and were superior to other compounds in the series concerning dual\u2010target PLP fitness. The MD simulation results showed that A4 and A6 exhibit high stability in their interactions with minimal structural fluctuations, attributed to hydrogen bonds formed consistently within the active site regions. In contrast, A7 has been shown to be a PIM\u20101 selective inhibitor. The attachment of azo\u2013Schiff base groups to the benzimidazole core results in an interesting structure with a potential for multi\u2010kinase inhibitory activity. The current study has identified molecules A4 and A6 as potential leads that require further in vitro and in vivo validation.<\/jats:p>","DOI":"10.1002\/ddr.70336","type":"journal-article","created":{"date-parts":[[2026,6,15]],"date-time":"2026-06-15T05:57:51Z","timestamp":1781503071000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":2,"title":["Structure\u2010Based Identification and Synthesis of Benzimidazole Azo\u2013Schiff Base Derivatives as Recommended CK2 and PIM\u20101 Inhibitors"],"prefix":"10.1002","volume":"87","author":[{"given":"Huda F.","family":"Hassan","sequence":"first","affiliation":[{"name":"Department of Pharmaceutical Chemistry, College of Pharmacy Bilad Alrafidain University Diyala Iraq"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mohamed E.","family":"Eissa","sequence":"additional","affiliation":[{"name":"Chemistry Department, College of Science Imam Mohammad Ibn Saud Islamic University (IMSIU) Riyadh Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0392-0465","authenticated-orcid":false,"given":"Maha Salih","family":"Hussein","sequence":"additional","affiliation":[{"name":"Department of Chemistry, College of Education University of Samarra Samarra Iraq"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mohammed Bashar","family":"Al\u2010Qazzan","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Chemistry, College of Pharmacy The University of Mashreq Baghdad Iraq"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mohammed","family":"Al\u2010Akeedi","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Chemistry, College of Pharmacy The University of Mashreq Baghdad Iraq"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5745-3631","authenticated-orcid":false,"given":"Mohamed N.","family":"Goda","sequence":"additional","affiliation":[{"name":"Chemistry Department, College of Science Imam Mohammad Ibn Saud Islamic University (IMSIU) Riyadh Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Sadeq Jaafer","family":"Al\u2010Tameemi","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Chemistry, College of Pharmacy Bilad Alrafidain University Diyala Iraq"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Haithem N.","family":"Abed","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Chemistry, College of Pharmacy Bilad Alrafidain University Diyala Iraq"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Tareq K.","family":"Ibraheem","sequence":"additional","affiliation":[{"name":"Department of Chemistry, College of Education for Pure Science University of Diyala Diyala Iraq"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3039-7646","authenticated-orcid":false,"given":"Tarek A.","family":"Yousef","sequence":"additional","affiliation":[{"name":"Chemistry Department, College of Science Imam Mohammad Ibn Saud Islamic University (IMSIU) Riyadh Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8173-6073","authenticated-orcid":false,"given":"Ahmed A.","family":"Al\u2010Karmalawy","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Chemistry, Faculty of Pharmacy Horus University\u2010Egypt New Damietta Egypt"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2026,6,14]]},"reference":[{"key":"e_1_2_9_2_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.softx.2015.06.001"},{"key":"e_1_2_9_3_1","doi-asserted-by":"publisher","DOI":"10.25122\/jml-2023-0257"},{"key":"e_1_2_9_4_1","doi-asserted-by":"publisher","DOI":"10.36329\/jkcm\/2025\/v5.i1.17277"},{"key":"e_1_2_9_5_1","doi-asserted-by":"publisher","DOI":"10.1039\/D5RA02179K"},{"key":"e_1_2_9_6_1","doi-asserted-by":"publisher","DOI":"10.3389\/fchem.2023.1328424"},{"key":"e_1_2_9_7_1","doi-asserted-by":"publisher","DOI":"10.1002\/ardp.70261"},{"key":"e_1_2_9_8_1","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pone.0333405"},{"key":"e_1_2_9_9_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-026-40497-4"},{"key":"e_1_2_9_10_1","doi-asserted-by":"publisher","DOI":"10.2174\/0109298673338657251018045851"},{"issue":"3","key":"e_1_2_9_11_1","first-page":"1101","article-title":"Evaluating the Activity of Momordica Charantia (Bitter Gourd) Fruit and Curcuma longa (Turmeric) Rhizome Extract as Anti\u2010Hyperlipidemic Agents in Experimental Animals","volume":"15","author":"Al\u2010Zuhairi M. 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