Complete Characterization of the 3D Properties of the CCR5 Antagonist Vicriviroc through DFT Calculations, NMR Spectroscopy, and X‐ray Analysis

L Legnani, D Colombo, S Villa… - European Journal of …, 2012 - Wiley Online Library
Vicriviroc is a piperazine‐based CCR5 receptor antagonist, with better oral availability,
potency, safety, and pharmacological properties than those of its precursor SCH‐C, but …

A complete characterization of the 3D properties of the CCR5 antagonist Vicriviroc

L Legnani, D Colombo, F Meneghetti, S Villa, L Toma - 2012 - air.unimi.it
Vicriviroc is a piperazine-based CCR5 receptor antagonist, that showed better oral
availability, potency, safety, and pharmacological properties than its precursor SCH-C, but …

Studies on the structure–activity relationship of 1, 3, 3, 4-tetra-substituted pyrrolidine embodied CCR5 receptor antagonists. Part 1: Tuning the N-substituents

L Ben, ED Jones, E Zhou, C Li, DC Baylis, S Yu… - Bioorganic & medicinal …, 2010 - Elsevier
A novel series of CCR5 antagonists has been identified, utilizing the lead, nifeviroc, which
were further modified based on bioisosteric principles. Lead optimization was pursued by …

Forward-and reverse-synthesis of piperazinopiperidine amide analogs: a general access to structurally diverse 4-piperazinopiperidine-based CCR5 antagonists

DZ Feng, YL Song, XH Jiang, L Chen… - Organic & Biomolecular …, 2007 - pubs.rsc.org
Piperazinopiperidine amide analogs are among the most promising CCR5 antagonists. As
an effective extension of a previously-reported methodology to synthesize such compounds …

Three-dimensional QSAR analyses of 1, 3, 4-trisubstituted pyrrolidine-based CCR5 receptor inhibitors

Y Zhuo, R Kong, X Cong, C Wang - European journal of medicinal …, 2008 - Elsevier
In this study, a series of 1, 3, 4-trisubstituted pyrrolidine-based CCR5 receptor inhibitors
were taken as our target with the method of the three-dimensional quantitative structure …

Identification and Validation of CCR5 Antagonists from Maraviroc Analogs by Pharmacophore Modelling and 3D-QSAR Studies

S Tuleshwori Devi, A Dutta… - Current Drug …, 2014 - ingentaconnect.com
Finding specific inhibitors for the immunodeficiency syndrome caused by virus, HIV-1 or HIV-
2 is still a difficult task. HIV most commonly uses CCR5 and CXCR4 as a co-receptor along …

Three-dimensional quantitative structure–activity relationship analyses of piperidine-based CCR5 receptor antagonists

M Song, CM Breneman, N Sukumar - Bioorganic & medicinal chemistry, 2004 - Elsevier
The CCR5 chemokine receptor has recently been found to play a crucial role in the viral
entry stage of HIV infection and has therefore become an attractive potential target for anti …

[HTML][HTML] 3D-QSAR studies on CCR2B receptor antagonists: Insight into the structural requirements of (R)-3-aminopyrrolidine series of molecules based on CoMFA …

S Gade, S Mahmood - Journal of Pharmacy and Bioallied …, 2012 - journals.lww.com
Objective: Monocyte chemo attractant protein-1 (MCP-1) is a member of the CC-chemokine
family and it selectively recruits leukocytes from the circulation to the site of inflammation …

Discovery of the CCR5 Antagonist Vicriviroc (Sch 417690/Sch‐D) for the Treatment of HIV‐1 Infection

JR Tagat, JM Strizki, LM Dunkle - Antiviral Drugs: From Basic …, 2011 - books.google.com
The discovery of chemokine receptor-5 (CCR5) antagonists for the treatment of HIV-1
infection exemplifies the success that can be achieved when possible chemical leads are …

Design, synthesis, and biological evaluation of novel piperidine-4-carboxamide derivatives as potent CCR5 inhibitors

S Hu, Q Gu, Z Wang, Z Weng, Y Cai, X Dong… - European journal of …, 2014 - Elsevier
Based on a putative 'Y shape'pharmacophore model of CCR5 inhibitors, a series of novel
piperidine-4-carboxamide derivatives were designed and synthesized using a group …