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This study presents a sustainable, high\u2010yield approach grounded in green chemistry, employing minimal catalyst loading for ecological compatibility. The methodology involves condensing\n                    <jats:italic>para<\/jats:italic>\n                    \u2010amino\u2010functionalized azo benzene, aryl aldehydes, indoline\u20102,3\u2010dione, and ammonium acetate using L\u2010proline as a catalyst under ultrasonic irradiation at room temperature. The electrochemical characterization\n                    <jats:italic>via<\/jats:italic>\n                    . Cyclic voltammetry (CV) on a TiO\n                    <jats:sub>2<\/jats:sub>\n                    .SiO\n                    <jats:sub>2<\/jats:sub>\n                    \u2010HMS\/GCE electrode revealed enhanced electrocatalytic performance, with the effective surface area increasing from 0.031\u2009cm\n                    <jats:sup>2<\/jats:sup>\n                    to 0.087\u2009cm\n                    <jats:sup>2<\/jats:sup>\n                    . Optimal activity was achieved at pH 6.54 with CTAB, providing a detection range of 1.0\u2009\u00d7\u200910\n                    <jats:sup>\u20136<\/jats:sup>\n                    M to 5.0\u2009\u00d7\u200910\n                    <jats:sup>\u20136<\/jats:sup>\n                    M, a detection limit of 1.50\u2009\u00d7\u200910\n                    <jats:sup>\u20137<\/jats:sup>\n                    \u2009M, and a correlation coefficient of 0.992, indicative of irreversible reactions. Remarkably, DFT studies at the B3LYP\/6\u2010311\u2009G level provided qualitative insights into the favorable electronic properties\n                    <jats:italic>via<\/jats:italic>\n                    . HOMO\u2013LUMO analysis. Molecular docking predicted that compound\n                    <jats:bold>\n                      <jats:italic>5(f)<\/jats:italic>\n                    <\/jats:bold>\n                    may interact favorably with the SARS\u2010CoV\u20102 spike protein, showing better docking scores than Chloroquine and Hydroxychloroquine. Molecular dynamics (MD) simulations further confirmed the stability and persistence of these protein\u2013ligand interactions over time. This prediction is further supported by its favorable pharmacokinetic profile and measurable in vitro cytotoxicity against HEK\u2010293 cells, aligning computational findings with biological activity. This study highlights the dual functionality of these derivatives in sensor and therapeutic domains, adhering to green chemistry principles.\n                  <\/jats:p>","DOI":"10.1002\/ardp.70195","type":"journal-article","created":{"date-parts":[[2026,2,5]],"date-time":"2026-02-05T04:20:16Z","timestamp":1770265216000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":2,"title":["Sustainable Synthesis and Medicinal Profiling of Azo\u2010Anchored Imidazo[4,5\u2010\n                    <i>b<\/i>\n                    ]Indole Scaffolds: DFT Studies, Electrochemical Sensing, and Pharmacokinetic Evaluation"],"prefix":"10.1002","volume":"359","author":[{"given":"Deepika","family":"Geedkar","sequence":"first","affiliation":[{"name":"School of Chemical Sciences, Devi Ahilya Vishwavidyalaya  Indore Madhya Pradesh India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ashok","family":"Kumar","sequence":"additional","affiliation":[{"name":"School of Chemical Sciences, Devi Ahilya Vishwavidyalaya  Indore Madhya Pradesh India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Rashmi","family":"Sharma","sequence":"additional","affiliation":[{"name":"Shri Vaishnav Institute of Paramedical Sciences Shri Vaishnav Vidyapeeth Vishwavidyalaya  Indore Madhya Pradesh India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3106-1100","authenticated-orcid":false,"given":"Pratibha","family":"Sharma","sequence":"additional","affiliation":[{"name":"School of Chemical Sciences, Devi Ahilya Vishwavidyalaya  Indore Madhya Pradesh India"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2026,2,4]]},"reference":[{"key":"e_1_2_7_2_1","doi-asserted-by":"publisher","DOI":"10.3390\/molecules25081909"},{"key":"e_1_2_7_3_1","doi-asserted-by":"publisher","DOI":"10.2174\/1570193X19666211231101747"},{"key":"e_1_2_7_4_1","doi-asserted-by":"publisher","DOI":"10.13005\/bpj\/2696"},{"key":"e_1_2_7_5_1","doi-asserted-by":"publisher","DOI":"10.3390\/molecules28020838"},{"key":"e_1_2_7_6_1","doi-asserted-by":"publisher","DOI":"10.2174\/1570179420666221118100525"},{"key":"e_1_2_7_7_1","doi-asserted-by":"publisher","DOI":"10.3390\/molecules28124845"},{"key":"e_1_2_7_8_1","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201803013"},{"key":"e_1_2_7_9_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.chemosphere.2021.133450"},{"issue":"7","key":"e_1_2_7_10_1","first-page":"3831","article-title":"Detection of Perfluorooctanoic and Perfluorodecanoic Acids on a Graphene\u2010Based Electrochemical Sensor Aided by Computational Simulations","volume":"40","author":"Shanbhag M. 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