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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Vydáno v:Front Chem
Hlavní autoři: Sirous, Hajar, Chemi, Giulia, Gemma, Sandra, Butini, Stefania, Debyser, Zeger, Christ, Frauke, Saghaie, Lotfollah, Brogi, Simone, Fassihi, Afshin, Campiani, Giuseppe, Brindisi, Margherita
Médium: Artigo
Jazyk:Inglês
Vydáno: Frontiers Media S.A. 2019
Témata:
Chemistry
On-line přístup: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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