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Hence, HDAC inhibitors are a promising class of compounds for targeted cancer therapy. Some HDAC inhibitors, such as vorinostat (SAHA), are already approved for the treatment of hematologic cancer. A number of 4\u2010substituted anilides (\n                    <jats:italic>para<\/jats:italic>\n                    \u2010aminophenol or\n                    <jats:italic>para<\/jats:italic>\n                    \u2010aminobenzoic acid derivatives) were designed and synthesized as potential HDAC inhibitors. Compound\n                    <jats:bold>23e<\/jats:bold>\n                    behaved as a potent HDAC2 inhibitor (IC\n                    <jats:sub>50<\/jats:sub>\n                    = 4.2\u00a0nM) with greater activity than SAHA. Molecular docking results showed that the ligand\n                    <jats:bold>23e<\/jats:bold>\n                    well placed to the HDAC2 active site through both hydrogen (Gly32, Asp104, Gly154, and His183) and hydrophobic (His33, Pro34, Phe155, His183, and Phe210) interactions. Molecular dynamics simulations confirmed stable complex formation over 500\u00a0ns with only small adaptive conformational fluctuations upon ligand binding. MM\/PBSA analysis indicated a favorable binding free energy (\u0394\n                    <jats:italic>G<\/jats:italic>\n                    <jats:sub>bind<\/jats:sub>\n                    = \u221227.98\u00a0kcal\/mol), confirming a thermodynamically stable and dynamically compatible protein\u2013ligand interaction. Compound\n                    <jats:bold>23e<\/jats:bold>\n                    exhibited a pronounced antiproliferative effect comparable to SAHA against HeLa and Raji cells, with IC\n                    <jats:sub>50<\/jats:sub>\n                    values of 5.07\u00a0\u00b1\u00a00.09\u00a0\u00b5M and 1.87\u00a0\u00b1\u00a00.22\u00a0\u00b5M, respectively, with low toxicity on normal cells. The synthesized derivatives can be considered as potential compounds for further development.\n                  <\/jats:p>","DOI":"10.1002\/cbdv.71516","type":"journal-article","created":{"date-parts":[[2026,7,28]],"date-time":"2026-07-28T18:24:49Z","timestamp":1785263089000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Design, Synthesis, In Vitro Evaluation, and Molecular Docking of 4\u2010Substituted Anilides as Histone Deacetylase Inhibitors and Potential Anticancer Agents"],"prefix":"10.1002","volume":"23","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-9035-8513","authenticated-orcid":false,"given":"Maryna","family":"Lisouskaya","sequence":"first","affiliation":[{"name":"Institute of Bioorganic Chemistry of National Academy of Sciences of Belarus  Minsk Belarus"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Alesia","family":"Panibrat","sequence":"additional","affiliation":[{"name":"Institute of Bioorganic Chemistry of National Academy of Sciences of Belarus  Minsk Belarus"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Muzaffar","family":"Kayumov","sequence":"additional","affiliation":[{"name":"Institute of Bioorganic Chemistry of the Academy of Sciences of the Republic of Uzbekistan  Tashkent Uzbekistan"},{"name":"State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica Chinese Academy of Sciences  Shanghai China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Khabibulla","family":"Yuldashev","sequence":"additional","affiliation":[{"name":"Institute of Bioorganic Chemistry of the Academy of Sciences of the Republic of Uzbekistan  Tashkent Uzbekistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Vitaly","family":"Syakhovich","sequence":"additional","affiliation":[{"name":"National Anti\u2010Doping Laboratory Lesnoy Belarus"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Alexander","family":"Mikhal'chuk","sequence":"additional","affiliation":[{"name":"Institute of Bioorganic Chemistry of National Academy of Sciences of Belarus  Minsk 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