{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,27]],"date-time":"2026-08-27T03:31:06Z","timestamp":1787801466439,"version":"build-2784847793"},"reference-count":48,"publisher":"Walter de Gruyter GmbH","issue":"1-2","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2026,1,29]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>\n                    In this research, a series of new hydrazone-Schiff bases of benzimidazole were synthesized in good yields through three step reactions, and the structures were confirmed by means of modern spectroscopic techniques (HR-ESI-MS,\n                    <jats:sup>1<\/jats:sup>\n                    H-, and\n                    <jats:sup>13<\/jats:sup>\n                    C NMR). These compounds have been assessed for their\n                    <jats:italic>in\u00a0vitro<\/jats:italic>\n                    carbonic anhydrase (CA) inhibitory activity, 12 derivatives showed potent inhibition (IC\n                    <jats:sub>50<\/jats:sub>\n                    \u00a0=\u00a013.29\u00a0\u00b1\u00a00.46 to 30.74\u00a0\u00b1\u00a01.28\u202f\u00b5M) comparing to the acetazolamide as a standard (IC\n                    <jats:sub>50<\/jats:sub>\n                    \u00a0=\u00a018.20\u00a0\u00b1\u00a00.43\u202f\u00b5M). Molecular docking studies exposed vital binding interactions and robust affinities with the CA active site. Electronic properties and structural stability were examined through DFT (B3LYP\/6\u2013311++G(d,p)), and intramolecular interactions were evaluated by means of DFT-D3 and reduced density gradient analysis. Furthermore, TD-DFT (CAM-B3LYP\/6\u2013311++G(d,p)) calculations provided insights into the electronic transitions and reactivity parameters like electron affinity, electronegativity, ionization energy, and chemical hardness, offering a deeper understanding of the compounds\u2019 inhibitory mechanisms.\n                  <\/jats:p>","DOI":"10.1515\/znc-2025-0038","type":"journal-article","created":{"date-parts":[[2025,6,6]],"date-time":"2025-06-06T02:47:21Z","timestamp":1749178041000},"page":"121-138","source":"Crossref","is-referenced-by-count":7,"title":["Synthesis of benzimidazole-based hydrazones as potential anticarbonic anhydrase agents: a theoretical and experimental investigations"],"prefix":"10.1515","volume":"81","author":[{"given":"Abdul","family":"Shakoor","sequence":"first","affiliation":[{"name":"Department of Chemistry , Abdul Wali Khan University , Mardan , 23200 , Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0475-2376","authenticated-orcid":false,"given":"Aftab","family":"Alam","sequence":"additional","affiliation":[{"name":"Department of Chemistry , Rawalpindi Women University , Rawalpindi , Pakistan"},{"name":"Department of Chemistry , University of Malakand , P.O. Box\u00a018800, Dir Lower , Khyber Pakhtunkhwa , Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Faheem","family":"Jan","sequence":"additional","affiliation":[{"name":"Shenyang National Laboratory for Materials Science , Institute of Metal Research Chinese Academy of Sciences , Shenyang , 110016 , Liaoning , China"},{"name":"School of Materials Science and Engineering , University of Science and Technology of China , Shenyang 110016 , Liaoning , China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Saeed","family":"Ullah","sequence":"additional","affiliation":[{"name":"Natural and Medical Sciences Research Center , University of Nizwa , P.O Box\u00a033, 616 Birkat Al Mauz , Nizwa , Oman"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mumtaz","family":"Ali","sequence":"additional","affiliation":[{"name":"Department of Chemistry , University of Malakand , P.O. Box\u00a018800, Dir Lower , Khyber Pakhtunkhwa , Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mahboob","family":"Ali","sequence":"additional","affiliation":[{"name":"Government Degree College , Takht Bhai, Mardan , Khyber Pakhtunkhwa , Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Abid","family":"Ali","sequence":"additional","affiliation":[{"name":"Department of Zoology , Abdul Wali Khan University , Mardan , 23200 , Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Abdullah F.","family":"AlAsmari","sequence":"additional","affiliation":[{"name":"Department of Pharmacology and Toxicology , College of Pharmacy, King Saud University , 11451 , Riyadh , Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Fawaz","family":"Alasmari","sequence":"additional","affiliation":[{"name":"Department of Pharmacology and Toxicology , College of Pharmacy, King Saud University , 11451 , Riyadh , Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ajmal","family":"Khan","sequence":"additional","affiliation":[{"name":"Natural and Medical Sciences Research Center , University of Nizwa , P.O Box\u00a033, 616 Birkat Al Mauz , Nizwa , Oman"},{"name":"Department of Chemical and Biological Engineering , College of Engineering, Korea University , 145 Anam-ro, Seongbuk-gu, 02841 , Seoul , Republic of Korea"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ahmed","family":"Al-Harrasi","sequence":"additional","affiliation":[{"name":"Natural and Medical Sciences Research Center , University of Nizwa , P.O Box\u00a033, 616 Birkat Al Mauz , Nizwa , Oman"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0936-5025","authenticated-orcid":false,"given":"Momin","family":"Khan","sequence":"additional","affiliation":[{"name":"Department of Chemistry , Abdul Wali Khan University , Mardan , 23200 , Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"374","published-online":{"date-parts":[[2025,6,9]]},"reference":[{"key":"2025123014583490024_j_znc-2025-0038_ref_001","doi-asserted-by":"crossref","unstructured":"Alterio, V, Di Fiore, A, D\u2019Ambrosio, K, Supuran, CT, De Simone, G. 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