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Structure-based 3D-Pharmacophore modeling to discover novel interleukin 6 inhibitors: An in silico screening, molecular dynamics simulations and binding free energy calculations

Interleukin 6 (IL-6) is a cytokine with various biological functions in immune regulation, hematopoiesis, and inflammation. Elevated IL-6 levels have been identified in several severe disorders such as sepsis, acute respiratory distress syndrome (ARDS), and most recently, COVID-19. The biological ac...

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Detalles Bibliográficos
Autores principales:	Tran, Que-Huong, Nguyen, Quoc-Thai, Vo, Nguyen-Quynh-Huong, Mai, Tan Thanh, Tran, Thi-Thuy-Nga, Tran, Thanh-Dao, Le, Minh-Tri, Trinh, Dieu-Thuong Thi, Thai, Khac-Minh
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Public Library of Science 2022
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8986010/ https://www.ncbi.nlm.nih.gov/pubmed/35385549 http://dx.doi.org/10.1371/journal.pone.0266632

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