دورية أكاديمية
De‐Novo Design of pre‐miR‐21 Maturation Inhibitors: Synthesis and Activity Assessment
| العنوان: | De‐Novo Design of pre‐miR‐21 Maturation Inhibitors: Synthesis and Activity Assessment |
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| المؤلفون: | Shcheholeva, Iryna, Fernández-Remacha, Daniel, Estrada-Tejedor, Roger, Duca, Maria, Michelet, Véronique |
| المساهمون: | Université Côte d'Azur (UCA) |
| المصدر: | ISSN: 0947-6539. |
| بيانات النشر: | HAL CCSD Wiley-VCH Verlag |
| سنة النشر: | 2023 |
| المجموعة: | Archive ouverte HAL (Hyper Article en Ligne, CCSD - Centre pour la Communication Scientifique Directe) |
| مصطلحات موضوعية: | [CHIM.ORGA]Chemical Sciences/Organic chemistry |
| الوصف: | International audience ; Abstract Targeting RNA with small molecules is a major challenge of current medicinal chemistry, and the identification and design of original scaffolds able to selectively interact with an RNA target remains difficult. Various approaches have been developed based on classical medicinal chemistry strategies (fragment‐based drug design, dynamic combinatorial chemistry, HTS or DNA‐encoded libraries) as well as on advanced structural biology and biochemistry methodologies (such as X‐ray, cryo‐EM, NMR, or SHAPE). Here, we report the de novo design, synthesis, and biological evaluation of RNA ligands by using a straightforward and sustainable chemistry combined with molecular docking and biochemical and biophysical studies that allowed us to identify a novel pharmacophore for RNA binding. Specifically, we focused on targeting the biogenesis of microRNA‐21, the well‐known oncogene. This led us not only to promising inhibitors but also to a better understanding of the interactions between the small‐molecule compounds and the RNA target paving the way for the rational design of efficient inhibitors with potential anticancer activity. |
| نوع الوثيقة: | article in journal/newspaper |
| اللغة: | English |
| العلاقة: | hal-04294407; https://hal.science/hal-04294407Test; https://hal.science/hal-04294407/documentTest; https://hal.science/hal-04294407/file/chem.202300825.pdfTest |
| DOI: | 10.1002/chem.202300825 |
| الإتاحة: | https://doi.org/10.1002/chem.202300825Test https://hal.science/hal-04294407Test https://hal.science/hal-04294407/documentTest https://hal.science/hal-04294407/file/chem.202300825.pdfTest |
| حقوق: | info:eu-repo/semantics/OpenAccess |
| رقم الانضمام: | edsbas.CC23E220 |
| قاعدة البيانات: | BASE |
| DOI: | 10.1002/chem.202300825 |
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