Clustering and Classifying Diverse HIV Entry Inhibitors Using a Novel Consensus Shape-Based Virtual Screening Approach: Further Evidence for Multiple Binding Sites within the CCR5 Extracellular Pocket

2008 ◽  
Vol 48 (11) ◽  
pp. 2146-2165 ◽  
Author(s):  
Violeta I. Pérez-Nueno ◽  
David W. Ritchie ◽  
Jose I. Borrell ◽  
Jordi Teixidó
Keyword(s):  
Virtual Screening ◽  
Binding Sites ◽  
Entry Inhibitors ◽  
Screening Approach ◽  
Multiple Binding Sites ◽  
Multiple Binding ◽  
Hiv Entry ◽  
Virtual Screening Approach ◽  
Hiv Entry Inhibitors

scholarly journals Discovery of HIV entry inhibitors via a hybrid CXCR4 and CCR5 receptor pharmacophore‐based virtual screening approach

2020 ◽  
Vol 155 ◽  
pp. 105537 ◽  
Author(s):  
Muhammad Usman Mirza ◽  
Atefeh Saadabadi ◽  
Michiel Vanmeert ◽  
Outi M.H. Salo-Ahen ◽  
Iskandar Abdullah ◽  
...  
Keyword(s):  
Virtual Screening ◽  
Entry Inhibitors ◽  
Screening Approach ◽  
Ccr5 Receptor ◽  
Hiv Entry ◽  
Virtual Screening Approach ◽  
Hiv Entry Inhibitors

Comparison of Ligand-Based and Receptor-Based Virtual Screening of HIV Entry Inhibitors for the CXCR4 and CCR5 Receptors Using 3D Ligand Shape Matching and Ligand−Receptor Docking

2008 ◽  
Vol 48 (3) ◽  
pp. 509-533 ◽  
Author(s):  
Violeta I. Pérez-Nueno ◽  
David W. Ritchie ◽  
Obdulia Rabal ◽  
Rosalia Pascual ◽  
Jose I. Borrell ◽  
...  
Keyword(s):  
Virtual Screening ◽  
Shape Matching ◽  
Entry Inhibitors ◽  
Hiv Entry ◽  
Hiv Entry Inhibitors

Impact of the CXCR4 structure on docking-based virtual screening of HIV entry inhibitors

2012 ◽  
Vol 38 ◽  
pp. 123-136 ◽  
Author(s):  
Jesús M. Planesas ◽  
Violeta I. Pérez-Nueno ◽  
José I. Borrell ◽  
Jordi Teixidó
Keyword(s):  
Virtual Screening ◽  
Entry Inhibitors ◽  
Hiv Entry ◽  
Hiv Entry Inhibitors

Discovery of Novel HIV Entry Inhibitors for the CXCR4 Receptor by Prospective Virtual Screening

2009 ◽  
Vol 49 (4) ◽  
pp. 810-823 ◽  
Author(s):  
Violeta I. Pérez-Nueno ◽  
Sofia Pettersson ◽  
David W. Ritchie ◽  
José I. Borrell ◽  
Jordi Teixidó
Keyword(s):  
Virtual Screening ◽  
Entry Inhibitors ◽  
Cxcr4 Receptor ◽  
Hiv Entry ◽  
Hiv Entry Inhibitors
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