[{"data":1,"prerenderedAt":-1},["ShallowReactive",2],{"doc-detail-331039-en":3,"doc-seo-331039-105":31,"detail-sidebar-cat-0-en-105":103},{"code":4,"msg":5,"data":6},0,"success",{"doc_id":7,"user_id":8,"nickname":9,"user_avatar":10,"doc_module":4,"category_id":11,"category_name":12,"doc_title":13,"doc_description":14,"doc_content":15,"file_id":16,"file_url":17,"file_type":18,"file_size":19,"view_count":20,"is_deleted":4,"is_public":21,"is_downloadable":21,"audit_status":21,"page_count":22,"language":23,"language_code":24,"site_id":25,"html_lang":24,"table_of_contents":26,"faqs":27,"seo_title":28,"seo_description":14,"update_tm":29,"read_time":30,"preview_page_count":4},331039,8796095461564,"Liam","https://ap-avatar.wpscdn.com/davatar_155a257f0dc6eb9ab79c44ca47cae57d",8,"Research & Report","The Structure–Antiproliferative Activity Relationship of Pyridine Derivatives - review","Pyridine’s heterocyclic framework is highlighted as a central motif in medicinal chemistry and drug design, second only to another prevalent heterocycle in FDA-approved drugs. A 2022–2024 review identifies pyridine derivatives with antiproliferative activity using IC50 values across multiple cancer cell lines, aiming to determine structural features that best support inhibition. Molecular descriptors and electrostatic potential maps were computed with computer programs. Key findings show that -OMe, -OH, -C=O, and NH2 groups and their positions enhance antiproliferative potency, while halogen atoms or bulky substituents reduce activity.","Review  \nThe Structure–Antiproliferative Activity Relationship of Pyridine Derivatives  \nAna-Laura Villa-Reyna 1, Martin Perez-Velazquez 2, Mayra Lizett González-Félix 2, Juan-Carlos Gálvez-Ruiz 3, Dulce María Gonzalez-Mosquera 4, Dora Valencia 1, Manuel G. Ballesteros-Monreal 1,  \nMilagros Aguilar-Martínez 1,* and Mario-Alberto Leyva-Peralta 1, *  \nCitation: Villa-Reyna, A.-L.; Perez-Velazquez, M.; González-Félix, M.L.; Gálvez-Ruiz, J.-C.;  \nGonzalez-Mosquera, D.M.; Valencia, D.; Ballesteros-Monreal, M.G.; Aguilar-Martínez, M.; Leyva-Peralta, M.-A. The Structure–Antiproliferative Activity Relationship of Pyridine Derivatives. Int. J. Mol. Sci. 2024, 25, 7640. [https://doi.org/10.3390/](https://doi.org/10.3390/)[ ](https://doi.org/10.3390/)ijms25147640  \nAcademic Editor: Serena Vittorio  \nReceived: 18 June 2024  \nRevised: 2 July 2024  \nAccepted: 4 July 2024  \nPublished: 11 July 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 Departamento de Ciencias Químico Biológicas y Agropecuarias, Facultad Interdisiplinaria de Ciencias Biológicas y de Salud, Universidad de Sonora, Campus Caborca, Caborca 83600, Mexico;  \n[ana.villa@unison.mx](ana.villa@unison.mx) (A.-L.V.-R.); [dora.valencia@unison.mx](dora.valencia@unison.mx) (D.V.);  \n[manuel.ballesteros@unison.mx](manuel.ballesteros@unison.mx) (M.G.B.-M.)  \n2 Departamento de Investigaciones Científicas y Tecnológicas, Facultad Interdisiplinaria de Ciencias Biológicasy de Salud, Universidad de Sonora, Campus Hermosillo, Hermosillo 83000, Mexico; [martin.perez@unison.mx](martin.perez@unison.mx) (M.P.-V.); [mayra.gonzalez@unison.mx](mayra.gonzalez@unison.mx) (M.L.G.-F.)  \n3 Departamento de Ciencias Químico Biológicas, Facultad Interdisiplinaria de Ciencias Biológicas y de Salud, Universidad de Sonora, Campus Hermosillo, Hermosillo 83000, Mexico; [juan.galvez@unison.mx](juan.galvez@unison.mx)  \n[4](4 Departamento de Farmacia)[ Departamento de Farmacia](4 Departamento de Farmacia), [Facultad de Qu](Facultad de Qu)í[mica-Farmacia](mica-Farmacia), [Universidad Central Marta Abreu Las Villitas](Universidad Central Marta Abreu Las Villitas), Santa Clara 54830, Cuba; [dgonzalezmosquera@gmail.com](dgonzalezmosquera@gmail.com)  \n* [Correspondence: milagros.aguilar@unison.mx](Correspondence: milagros.aguilar@unison.mx) (M.A.-M.); [mario.leyva@unison.mx](mario.leyva@unison.mx) (M.-A.L.-P.)  \nAbstract: Pyridine, a compound with a heterocyclic structure, is a key player in medicinal chemistry and drug design. It is widely used as a framework for the design of biologically active molecules and is the second most common heterocycle in FDA-approved drugs. Pyridine is known for its diverse biological activity, including antituberculosis, antitumor, anticoagulant, antiviral, antimalarial, antileishmania, anti-inflammatory, anti-Alzheimer’s, antitrypanosomal, antimalarial, vasodilatory, antioxidant, antimicrobial, and antiproliferative effects. This review, spanning from 2022 to 2012, involved the meticulous identification of pyridine derivatives with antiproliferative activity, as indicated by their minimum inhibitory concentration values (IC50) against various cancerous cell lines. The aim was to determine the most favorable structural characteristics for their antiproliferative activity. Using computer programs, we constructed and calculated the molecular descriptors and analyzed the electrostatic potential maps of the selected pyridine derivatives. The study found that the presence and positions of the-OMe, -OH, -C=O, and NH2 groups in the pyridine derivatives enhanced their antiproliferative activity over the cancerous cellular lines studied. Conversely, pyridine derivatives with halogen ","cbCaiird3Oih1Ive","https://ap.wps.com/l/cbCaiird3Oih1Ive","pdf",14387948,9,1,30,"English","en",105,"# Introduction\n## Pyridine as a medicinal chemistry scaffold\n## Cancer burden and current therapies\n## Multidrug resistance and need for alternatives\n# Abstract and study aims\n# Methods and computational analysis\n# Results and structure–activity insights","[{\"question\":\"What is the main purpose of the review on pyridine derivatives?\",\"answer\":\"To determine the most favorable structural characteristics of pyridine derivatives that drive antiproliferative activity, assessed via IC50 values against cancer cell lines.\"},{\"question\":\"How was antiproliferative activity evaluated in the study?\",\"answer\":\"Using minimum inhibitory concentration (IC50) values reported for pyridine derivatives tested on various cancerous cell lines.\"},{\"question\":\"Which structural groups were associated with stronger antiproliferative activity?\",\"answer\":\"The presence and positions of -OMe, -OH, -C=O, and NH2 groups were linked to enhanced antiproliferative activity.\"},{\"question\":\"What structural features tended to decrease antiproliferative activity?\",\"answer\":\"Pyridine derivatives containing halogen atoms or bulky groups showed lower antiproliferative activity compared with more favorable substituent patterns.\"}]","The Structure–Antiproliferative Activity Relationship of Pyridine Derivatives - 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