التفاصيل البيبلوغرافية
| العنوان: |
Different In Silico Approaches Using Heterocyclic Derivatives against the Binding between Different Lineages of SARS-CoV-2 and ACE2 |
| المؤلفون: |
Federica Sipala, Gianfranco Cavallaro, Giuseppe Forte, Cristina Satriano, Alessandro Giuffrida, Aurore Fraix, Angelo Spadaro, Salvatore Petralia, Carmela Bonaccorso, Cosimo Gianluca Fortuna, Simone Ronsisvalle |
| المصدر: |
Molecules; Volume 28; Issue 9; Pages: 3908 |
| بيانات النشر: |
Multidisciplinary Digital Publishing Institute |
| سنة النشر: |
2023 |
| المجموعة: |
MDPI Open Access Publishing |
| مصطلحات موضوعية: |
SARS-CoV-2, molecular modeling, heterocyclic derivatives |
| جغرافية الموضوع: |
agris |
| الوصف: |
Over the last few years, the study of the SARS-CoV-2 spike protein and its mutations has become essential in understanding how it interacts with human host receptors. Since the crystallized structure of the spike protein bound to the angiotensin-converting enzyme 2 (ACE2) receptor was released (PDB code 6M0J), in silico studies have been performed to understand the interactions between these two proteins. Specifically, in this study, heterocyclic compounds with different chemical characteristics were examined to highlight the possibility of interaction with the spike protein and the disruption of the interaction between ACE2 and the spike protein. Our results showed that these compounds interacted with the spike protein and interposed in the interaction zone with ACE2. Although further studies are needed, this work points to these heterocyclic push–pull compounds as possible agents capable of interacting with the spike protein, with the potential for the inhibition of spike protein–ACE2 binding. |
| نوع الوثيقة: |
text |
| وصف الملف: |
application/pdf |
| اللغة: |
English |
| العلاقة: |
Medicinal Chemistry; https://dx.doi.org/10.3390/molecules28093908Test |
| DOI: |
10.3390/molecules28093908 |
| الإتاحة: |
https://doi.org/10.3390/molecules28093908Test |
| حقوق: |
https://creativecommons.org/licenses/by/4.0Test/ |
| رقم الانضمام: |
edsbas.64BBDB48 |
| قاعدة البيانات: |
BASE |
