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This article presents the synthesis and characterization of piperazine-linked 1,8-naphthalimide-arylsulfonyl derivatives (SA1–SA7) obtained via a two-step protocol and analyzed using multiple analytical methods. In vitro studies evaluate cytotoxicity and fluorescent cellular imaging in non-cancerous 3T3 and breast cancer 4T1 cell lines, showing good safety and strong membrane permeability. In silico docking, MD simulation, and ADME/Tox results indicate CAIX-targeting potential for cancer theranostics.",{"@graph":69,"@context":123},[70,84,106],{"@type":71,"itemListElement":72},"BreadcrumbList",[73,77,79,82],{"item":74,"name":75,"@type":76,"position":8},"https://docshare.wps.com","Home","ListItem",{"item":78,"name":9,"@type":76,"position":14},"https://docshare.wps.com/document/",{"item":80,"name":40,"@type":76,"position":81},"https://docshare.wps.com/document/research-report/",3,{"item":83,"name":65,"@type":76,"position":19},"https://docshare.wps.com/document/synthesis-characterization-cytotoxicity-cellular-imaging-molecular-docking-and-admet-studies-of-piperazine-linked-18-naphthalimide-arylsulfonyl-derivatives/326810/",{"url":83,"name":65,"@type":85,"image":86,"author":91,"headline":65,"publisher":94,"fileFormat":97,"inLanguage":63,"description":67,"dateModified":98,"datePublished":99,"encodingFormat":97,"isAccessibleForFree":100,"interactionStatistic":101},"DigitalDocument",{"url":87,"@type":88,"width":89,"height":90},"https://docshare.wps.com/thumbnails/synthesis-characterization-cytotoxicity-cellular-imaging-molecular-docking-and-admet-studies-of-piperazine-linked-18-naphthalimide-arylsulfonyl-derivatives/326810.png","ImageObject",300,407,{"name":92,"@type":93},"Himbo","Person",{"url":74,"name":95,"@type":96},"DocShare","Organization","application/pdf","2026-10-26","2026-09-21",true,{"@type":102,"interactionType":103,"userInteractionCount":105},"InteractionCounter",{"@type":104},"ViewAction",12,{"@type":107,"mainEntity":108},"FAQPage",[109,115,119],{"name":110,"@type":111,"acceptedAnswer":112},"What compounds are synthesized in this study and how are they prepared?","Question",{"text":113,"@type":114},"The study synthesizes piperazine-linked 1,8-naphthalimide-arylsulfonyl derivatives (SA1–SA7) using a two-step protocol, followed by characterization with multiple analytical techniques.","Answer",{"name":116,"@type":111,"acceptedAnswer":117},"How were cytotoxicity and cellular imaging evaluated?",{"text":118,"@type":114},"In vitro cytotoxicity and fluorescent cellular imaging were assessed against non-cancerous 3T3 and breast cancer 4T1 cell lines, including viability measurement and imaging of intracellular distribution.",{"name":120,"@type":111,"acceptedAnswer":121},"What do the in silico studies suggest about targeting and drug-likeness?",{"text":122,"@type":114},"Molecular docking, molecular dynamics simulation, and ADME/Tox results indicate that the compounds have the ability to target CAIX-expressing cancers.","https://schema.org",{"og:url":83,"og:type":125,"og:title":65,"og:site_name":95,"og:description":67},"article",{"robots":127,"canonical":83},"index,follow",{"doc_id":129,"site_id":62},326810,1790729717,{"code":4,"msg":5,"data":132},{"doc_id":129,"user_id":133,"nickname":92,"user_avatar":134,"doc_module":4,"category_id":39,"category_name":40,"doc_title":65,"doc_description":67,"doc_content":135,"file_id":136,"file_url":137,"file_type":138,"file_size":139,"view_count":105,"is_deleted":4,"is_public":8,"is_downloadable":8,"audit_status":8,"page_count":140,"language":141,"language_code":63,"site_id":62,"html_lang":63,"table_of_contents":142,"faqs":143,"seo_title":144,"seo_description":67,"update_tm":145,"read_time":146,"preview_page_count":4},687197100911,"https://ap-avatar.wpscdn.com/avatar/a000239b6f1da00475?x-image-process=image/resize,m_fixed,w_180,h_180&k=1785132997149421697","Article  \nSynthesis, Characterization, Cytotoxicity, Cellular Imaging, Molecular Docking, and ADMET Studies of Piperazine-Linked 1,8-Naphthalimide-Arylsulfonyl Derivatives  \nAshanul Haque 1,2, Khalaf M. Alenezi 1,2, Ahmed Al-Otaibi 1,2, Abdulmohsen Khalaf Dhahi Alsukaibi 1,2  \n,  \nAtaur Rahman 3, Ming-Fa Hsieh 4, *, Mei-Wen Tseng 4 and Wai-Yeung Wong 5, *  \nCitation: Haque, A.; Alenezi, K.M.; Al-Otaibi, A.; Alsukaibi, A.K.D.; Rahman, A.; Hsieh, M.-F.; Tseng, M.-W.; Wong, W.-Y. Synthesis, Characterization, Cytotoxicity, Cellular Imaging, Molecular Docking, and ADMET Studies of Piperazine-Linked 1,8-Naphthalimide-Arylsulfonyl Derivatives. Int. J. Mol. Sci. 2024, 25, 1069. [https://doi.org/10.3390/](https://doi.org/10.3390/)[ ](https://doi.org/10.3390/)ijms25021069  \nAcademic Editor: Antonio Carrieri  \nReceived: 4 December 2023  \nRevised: 6 January 2024  \nAccepted: 8 January 2024  \nPublished: 15 January 2024  \nCopyright: © 2024 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license ([https://](https://)[ ](https://)[creativecommons.org/licenses/by/](creativecommons.org/licenses/by/)[ ](creativecommons.org/licenses/by/)[4.0/](4.0/)) .  \n1 Department of Chemistry, College of Science, University of Ha’il, Ha’il 81451, Saudi Arabia; [a.haque@uoh.edu.sa](a.haque@uoh.edu.sa) (A.H.); [k.alenezi@uoh.edu.sa](k.alenezi@uoh.edu.sa) (K.M.A.); [ahmed.alotaibi@uoh.edu.sa](ahmed.alotaibi@uoh.edu.sa) (A.A.-O.); [a.alsukaibi@uoh.edu.sa](a.alsukaibi@uoh.edu.sa) (A.K.D.A.)  \n2 Medical and Diagnostic Research Centre, University of Ha’il, Ha’il 55473, Saudi Arabia  \n3 Jamia Senior Secondary School, Jamia Millia Islamia, New Delhi 110025, India; [arahman4@jmi.ac.in](arahman4@jmi.ac.in)  \n4 Department of Biomedical Engineering, Chung Yuan Christian University, 200 Chung Pei Road, Chung Li District, Taoyuan City 32023, Taiwan; [g11275004@cycu.edu.tw](g11275004@cycu.edu.tw)  \n5 Department of Applied Biology and Chemical Technology, The Hong Kong Polytechnic University, Hung Hom, Kowloon, Hong Kong, China  \n* [Correspondence: mfhsieh@cycu.edu.tw](Correspondence: mfhsieh@cycu.edu.tw) (M.-F.H.); [wai-yeung.wong@polyu.edu.hk](wai-yeung.wong@polyu.edu.hk) (W.-Y.W.)  \nAbstract: To reduce the mortality and morbidity associated with cancer, new cancer theranostics are in high demand and are an emerging area of research. To achieve this goal, we report the synthesis and characterization of piperazine-linked 1,8-naphthalimide-arylsulfonyl derivatives (SA1–SA7) . These compounds were synthesized in good yields following a two-step protocol and characterized using multiple analytical techniques. In vitro cytotoxicity and fluorescent cellular imaging of the compounds were assessed against non-cancerous fibroblast (3T3) and breast cancer (4T1) cell lines. Although the former study indicated the safe nature of the compounds (viability = 82–95% at 1 µg/mL), imaging studies revealed that the designed probes had good membrane permeability and could disperse in the whole cell cytoplasm. In silico studies, including molecular docking, molecular dynamics (MD) simulation, and ADME/Tox results, indicated that the compounds had the ability to target CAIX-expressing cancers. These findings suggest that piperazine-linked 1,8-naphthalimidearylsulfonyl derivatives are potential candidates for cancer theranostics and a valuable backbone for future research.  \nKeywords: 1,8-naphthalimide; arylsulfonyl; cellular imaging; characterization; docking; synthesis  \n1. Introduction  \nAccounting for nearly 8 million deaths and 14 million new cases annually, cancer remains the second leading cause of death worldwide [1] . Cancer therapy relies almost entirely on long-established technologies: surgery, radiotherapy, and chemotherapy, supplemented by more recent targeted therapies and emerging stem-cell and gene therapies [2] . Even though new potential treatments are","cbCaiv3mJaghA2hW","https://ap.wps.com/l/cbCaiv3mJaghA2hW","pdf",4894442,17,"English","# Introduction\n## Background on cancer burden and therapy challenges\n## Rationale for 1,8-naphthalimides and related derivatives\n## Applications in DNA intercalation and cellular imaging\n# Materials and Methods\n## Synthesis protocol and analytical characterization\n## In vitro cytotoxicity and fluorescent cellular imaging\n## In silico molecular docking, MD simulation, and ADME/Tox","[{\"question\":\"What compounds are synthesized in this study and how are they prepared?\",\"answer\":\"The study synthesizes piperazine-linked 1,8-naphthalimide-arylsulfonyl derivatives (SA1–SA7) using a two-step protocol, followed by characterization with multiple analytical techniques.\"},{\"question\":\"How were cytotoxicity and cellular imaging evaluated?\",\"answer\":\"In vitro cytotoxicity and fluorescent cellular imaging were assessed against non-cancerous 3T3 and breast cancer 4T1 cell lines, including viability measurement and imaging of intracellular distribution.\"},{\"question\":\"What do the in silico studies suggest about targeting and drug-likeness?\",\"answer\":\"Molecular docking, molecular dynamics simulation, and ADME/Tox results indicate that the compounds have the ability to target CAIX-expressing cancers.\"}]","Synthesis, Characterization, Cytotoxicity, Cellular Imaging, Molecular Docking, and ADMET Studies of Piperazine-Linked 1,8-Naphthalimide-Arylsulfonyl Derivatives | PDF",1789975409,43]