Please use this identifier to cite or link to this item: http://hdl.handle.net/20.500.12779/5985
Title: Predicting the Binding Mode of Known NCp7 Inhibitors To Facilitate the Design of Novel Modulators.
Authors: Mori, Mattia 
Manetti, Fabrizio 
Botta, Maurizio 
Issue Date: 2011
Project: None 
Journal: JOURNAL OF CHEMICAL INFORMATION AND MODELING
Abstract: 
The HIV-1 nucleocapsid protein (NCp7) is an emerging target for antiretroviral therapy. Five hits have been reported to inhibit the NCp7-viral nucleic acids interaction at micromolar concentrations. We used two computationally refined structures of NCp7 as receptors to propose a reliable binding pose for these compounds, by means of computational methods. Theoretical binding modes are in agreement with available experimental data. Results lay the foundations for a rationale development of more effective NCp7 inhibitors
Description: 
38645
URI: http://hdl.handle.net/20.500.12779/5985
ISSN: 1549-9596
DOI: 10.1021/ci100393m
Appears in Collections:Publications

Show full item record

Google ScholarTM

Check

Altmetric


Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.