دورية أكاديمية
Deciphering the enzymatic target of a new family of antischistosomal agents bearing a quinazoline scaffold using complementary computational tools
| العنوان: | Deciphering the enzymatic target of a new family of antischistosomal agents bearing a quinazoline scaffold using complementary computational tools |
|---|---|
| المؤلفون: | Sebastián-Pérez, Víctor, García-Rubia, Alfonso, Seif el-Din, Sayed H., Sabra, Abdel-Nasser A., El-Lakkany, Naglaa M., William, Samia, Blundell, Tom L., Maes, Louis, Martínez, Ana, Campillo, Nuria E., Botros, Sanaa S., Gil, Carmen |
| المساهمون: | European Commission, Ministerio de Educación, Cultura y Deporte (España), Sebastián-Pérez, Víctor, García-Rubia, Alfonso, Seif el-Din, Sayed H., El-Lakkany, Naglaa M., William, Samia, Maes, Louis /, Martínez, Ana, Campillo, Nuria E., Gil, Carmen |
| بيانات النشر: | Taylor & Francis |
| سنة النشر: | 2020 |
| المجموعة: | Digital.CSIC (Consejo Superior de Investigaciones Científicas / Spanish National Research Council) |
| مصطلحات موضوعية: | Drug discovery, Quinazoline, Schistosoma mansoni, Target deconvolution |
| الوصف: | 13 p.-7 fig.-5 tab.-1 graph. abst. ; A previous phenotypic screening campaign led to the identification of a quinazoline derivative with promising in vitro activity against Schistosoma mansoni. Follow-up studies of the antischistosomal potential of this candidate are presented here. The in vivo studies in a S. mansoni mouse model show a significant reduction of total worms and a complete disappearance of immature eggs when administered concomitantly with praziquantel in comparison with the administration of praziquantel alone. This fact is of utmost importance because eggs are responsible for the pathology and transmission of the disease. Subsequently, the chemical optimisation of the structure in order to improve the metabolic stability of the parent compound was carried out leading to derivatives with improved drug-like properties. Additionally, the putative target of this new class of antischistosomal compounds was envisaged by using computational tools and the binding mode to the target enzyme, aldose reductase, was proposed. ; This study received funding from the EC 7th Framework Programme (FP7-HEALTH-2013-INNOVATION-1, PDE4NPD no.602666), RICET (RD16/0027/0010), FEDER funds and MECD [Grant FPU15/1465 to V. S.-P.]. ; Peer reviewed |
| نوع الوثيقة: | article in journal/newspaper |
| اللغة: | English |
| تدمد: | 1475-6366 1475-6374 |
| العلاقة: | #PLACEHOLDER_PARENT_METADATA_VALUE#; info:eu-repo/grantAgreement/EC/FP7/602666; Publisher's version; https://doi.org/10.1080/14756366.2020.1712595Test; Sí; J Enzyme Inhib Med Chem 35(1):511-523 (2020); http://hdl.handle.net/10261/200761Test; http://dx.doi.org/10.13039/501100000780Test; http://dx.doi.org/10.13039/501100003176Test |
| DOI: | 10.1080/14756366.2020.1712595 |
| DOI: | 10.13039/501100000780 |
| DOI: | 10.13039/501100003176 |
| الإتاحة: | https://doi.org/10.1080/14756366.2020.1712595Test https://doi.org/10.13039/501100000780Test https://doi.org/10.13039/501100003176Test http://hdl.handle.net/10261/200761Test |
| حقوق: | open |
| رقم الانضمام: | edsbas.BAA29C40 |
| قاعدة البيانات: | BASE |
Full Text Finder | تدمد: | 14756366 14756374 |
|---|---|
| DOI: | 10.1080/14756366.2020.1712595 |