{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,15]],"date-time":"2026-07-15T05:50:42Z","timestamp":1784094642679,"version":"3.55.0"},"reference-count":30,"publisher":"Wiley","issue":"2","license":[{"start":{"date-parts":[[2025,4,14]],"date-time":"2025-04-14T00:00:00Z","timestamp":1744588800000},"content-version":"vor","delay-in-days":13,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"funder":[{"DOI":"10.13039\/501100001409","name":"Department of Science and Technology, Ministry of Science and Technology, India","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100001409","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["analyticalsciencejournals.onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Drug Development Research"],"published-print":{"date-parts":[[2025,4]]},"abstract":"<jats:title>ABSTRACT<\/jats:title><jats:p>In this report, we present a new series of diaryl diimidazopyrimidine derivatives <jats:bold>3a\u2010m,<\/jats:bold> that have been synthesized and assessed for their in vitro antiviral activity. The derivatives were prepared through a one\u2010step reaction involving commercially available 2,4\u2010diamino\u20106\u2010chloropyrimidine and various phenacyl bromides <jats:bold>2a\u2010m<\/jats:bold>, leading to the formation of the desired diaryl diimidazo\u2010 pyrimidines <jats:bold>3a\u2010m<\/jats:bold> with good yields. <jats:italic>In vitro<\/jats:italic> evaluations against the <jats:italic>Influenza A<\/jats:italic> H1N1 strain identified compounds <jats:bold>3m<\/jats:bold> (SI\u2009=\u200973) and <jats:bold>3b<\/jats:bold> (SI\u2009=\u200923) as the most potent candidates. Additionally, antimicrobial screening indicated that compounds <jats:bold>3d<\/jats:bold> and <jats:bold>3j,<\/jats:bold> which contain methyl and methoxy substitutions, exhibited moderate activity against <jats:italic>Streptococcus mutans<\/jats:italic>, <jats:italic>Salmonella typhi<\/jats:italic>, and <jats:italic>Candida albicans<\/jats:italic>. Molecular Docking studies of the promising compounds <jats:bold>3b and 3m<\/jats:bold> demonstrated significant binding interactions with the M1 matrix protein (PDB ID: 5CQE) in comparison to M2 proton channel of <jats:italic>Influenza A<\/jats:italic> (PDB: 6US9), suggesting that these derivatives may be effectively targeting the M1 protein. Additionally, molecular dynamics (MD) simulations were conducted to evaluate the stability, dynamic behaviour, and binding affinity of the most potent compounds <jats:bold>3b<\/jats:bold> and <jats:bold>3m.<\/jats:bold> The in vitro antiviral studies, molecular docking and MD simulations data highlight the promising pharmacological potential of these analogues, paving the way for further structural optimization and development as potential antiviral agents.<\/jats:p>","DOI":"10.1002\/ddr.70088","type":"journal-article","created":{"date-parts":[[2025,4,14]],"date-time":"2025-04-14T08:22:36Z","timestamp":1744618956000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":2,"title":["Diaryl Diimidazopyrimidine Derivatives as Potent Inhibitors of <i>Influenza A<\/i> Virus: Synthesis, Evaluation and Docking Studies"],"prefix":"10.1002","volume":"86","author":[{"given":"Abburi Naga","family":"Pranathi","sequence":"first","affiliation":[{"name":"Fluoro &amp; Agrochemicals Division CSIR\u2010 Indian Institute of Chemical Technology Hyderabad 500007 Telangana India"},{"name":"Academy of Scientific and Innovative Research (AcSIR) Ghaziabad 201002 Uttar Pradesh India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Devendra","family":"Nagineni","sequence":"additional","affiliation":[{"name":"Fluoro &amp; Agrochemicals Division CSIR\u2010 Indian Institute of Chemical Technology Hyderabad 500007 Telangana India"},{"name":"Academy of Scientific and Innovative Research (AcSIR) Ghaziabad 201002 Uttar Pradesh India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Rakesh Kumar","family":"Bollikanda","sequence":"additional","affiliation":[{"name":"Fluoro &amp; Agrochemicals Division CSIR\u2010 Indian Institute of Chemical Technology Hyderabad 500007 Telangana India"},{"name":"Academy of Scientific and Innovative Research (AcSIR) Ghaziabad 201002 Uttar Pradesh India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Svetlana V.","family":"Belyaevskaya","sequence":"additional","affiliation":[{"name":"Pasteur Institute of Epidemiology and Microbiology 14 Mira str. St. Petersburg 197101 Russia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Iana L.","family":"Esaulkova","sequence":"additional","affiliation":[{"name":"Pasteur Institute of Epidemiology and Microbiology 14 Mira str. St. Petersburg 197101 Russia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Vladimir V.","family":"Zarubaev","sequence":"additional","affiliation":[{"name":"Pasteur Institute of Epidemiology and Microbiology 14 Mira str. 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