Identification of Novel 3-Hydroxy-pyran-4-One Derivatives as Potent HIV-1 Integrase Inhibitors Using in silico Structure-Based Combinatorial Library Design Approach

We describe herein the development and experimental validation of a computational protocol for optimizing a series of 3-hydroxy-pyran-4-one derivatives as HIV integrase inhibitors (HIV INIs). Starting from a previously developed micromolar inhibitors of HIV integrase (HIV IN), we performed an in-dep...

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Veröffentlicht in:Front Chem
Hauptverfasser: Sirous, Hajar, Chemi, Giulia, Gemma, Sandra, Butini, Stefania, Debyser, Zeger, Christ, Frauke, Saghaie, Lotfollah, Brogi, Simone, Fassihi, Afshin, Campiani, Giuseppe, Brindisi, Margherita
Format: Artigo
Sprache:Inglês
Veröffentlicht: Frontiers Media S.A. 2019
Schlagworte:
Chemistry
Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC6700280/
https://ncbi.nlm.nih.gov/pubmed/31457006
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3389/fchem.2019.00574
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