How Can (−)-Epigallocatechin Gallate from Green Tea Prevent HIV-1 Infection? Mechanistic Insights from Computational Modeling and the Implication for Rational Design of Anti-HIV-1 Entry Inhibitors

2006 ◽  
Vol 110 (6) ◽  
pp. 2910-2917 ◽  
Author(s):  
Adel Hamza ◽  
Chang-Guo Zhan
Keyword(s):  
Computational Modeling ◽  
Green Tea ◽  
Rational Design ◽  
Epigallocatechin Gallate ◽  
Entry Inhibitors ◽  
Anti Hiv ◽  
Hiv 1

3D-QSAR Methodologies and Molecular Modeling in Bioinformatics for the Search of Novel Anti-HIV Therapies: Rational Design of Entry Inhibitors

2013 ◽  
Vol 8 (4) ◽  
pp. 452-464 ◽  
Author(s):  
Alejandro Speck-Planche ◽  
Valeria Kleandrova ◽  
Marcus Scotti ◽  
M. Cordeiro
Keyword(s):  
Molecular Modeling ◽  
Rational Design ◽  
3D Qsar ◽  
Entry Inhibitors ◽  
Anti Hiv

scholarly journals Betulinic Acid Derivatives That Target gp120 and Inhibit Multiple Genetic Subtypes of Human Immunodeficiency Virus Type 1

2007 ◽  
Vol 52 (1) ◽  
pp. 128-136 ◽  
Author(s):  
Weihong Lai ◽  
Li Huang ◽  
Phong Ho ◽  
Zhijun Li ◽  
David Montefiori ◽  
...  
Keyword(s):  
Human Immunodeficiency Virus ◽  
Human Immunodeficiency Virus Type ◽  
Broad Spectrum ◽  
Betulinic Acid ◽  
V3 Loop ◽  
Entry Inhibitors ◽  
Immunodeficiency Virus ◽  
Anti Hiv ◽  
Hiv 1

ABSTRACT Betulinic acid (BA) derivatives can inhibit human immunodeficiency virus type 1 (HIV-1) entry or maturation depending on side chain modifications. While BA derivatives with antimaturation activity have attracted considerable interest, the anti-HIV-1 profile and molecular mechanism of BA derivatives with anti-HIV-1 entry activity (termed BA entry inhibitors) have not been well defined. In this study, we have found that two BA entry inhibitors, IC9564 and A43D, exhibited a broad spectrum of anti-HIV-1 activity. Both compounds inhibited multiple strains of HIV-1 from clades A, B, and C at submicromolar concentrations. Clade C viruses were more sensitive to the compounds than clade A and B viruses. Interestingly, IC9564 at subinhibitory concentrations could alter the antifusion activities of other entry inhibitors. IC9564 was especially potent in increasing the sensitivity of HIV-1YU2 Env-mediated membrane fusion to the CCR5 inhibitor TAK-779. Results from this study suggest that the V3 loop of gp120 is a critical determinant for the anti-HIV-1 activity of IC9564. IC9564 escape viruses contained mutations near the tip of the V3 loop. Moreover, IC9564 could compete with the binding of V3 monoclonal antibodies 447-52D and 39F. IC9564 also competed with the binding of gp120/CD4 complexes to chemokine receptors. In summary, these results suggest that BA entry inhibitors can potently inhibit a broad spectrum of primary HIV-1 isolates by targeting the V3 loop of gp120.

scholarly journals 2-Aminothiazolones as Anti-HIV Agents That Act as gp120-CD4 Inhibitors

2014 ◽  
Vol 58 (6) ◽  
pp. 3043-3052 ◽  
Author(s):  
Marika Tiberi ◽  
Cristina Tintori ◽  
Elisa Rita Ceresola ◽  
Roberta Fazi ◽  
Claudio Zamperini ◽  
...  
Keyword(s):  
Early Stage ◽  
Biological Properties ◽  
Docking Simulations ◽  
Protein Protein Interaction ◽  
Entry Inhibitors ◽  
Antiviral Activities ◽  
Hiv Entry ◽  
Anti Hiv Agents ◽  
Anti Hiv ◽  
Hiv 1

ABSTRACTWe report here the synthesis of 2-aminothiazolones along with their biological properties as novel anti-HIV agents. Such compounds have proven to act through the inhibition of the gp120-CD4 protein-protein interaction that occurs at the very early stage of the HIV-1 entry process. No cytotoxicity was found for these compounds, and broad antiviral activities against laboratory strains and pseudotyped viruses were documented. Docking simulations have also been applied to predict the mechanism, at the molecular level, by which the inhibitors were able to interact within the Phe43 cavity of HIV-1 gp120. Furthermore, a preliminary absorption, distribution, metabolism, and excretion (ADME) evaluation was performed. Overall, this study led the basis for the development of more potent HIV entry inhibitors.

Rational design, synthesis, anti-HIV-1 RT and antimicrobial activity of novel 3-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-1-(piperazin-1-yl)propan-1-one derivatives

2016 ◽  
Vol 67 ◽  
pp. 75-83 ◽  
Author(s):  
Subhash Chander ◽  
Ping Wang ◽  
Penta Ashok ◽  
Liu-Meng Yang ◽  
Yong-Tang Zheng ◽  
...  
Keyword(s):  
Antimicrobial Activity ◽  
Rational Design ◽  
Design Synthesis ◽  
Anti Hiv ◽  
Hiv 1

Mucosal Immunity Against HIV-1 Infection by the Green Tea Catechin, Epigallocatechin Gallate

2009 ◽  
Vol 123 (2) ◽  
pp. S208-S208
Author(s):  
C.L. Nance ◽  
E. Siwak ◽  
M. D'Souza ◽  
A. McMullen ◽  
S. Sanga ◽  
...  
Keyword(s):  
Green Tea ◽  
Mucosal Immunity ◽  
Epigallocatechin Gallate ◽  
Green Tea Catechin ◽  
Hiv 1

T.75. Inhibition of Dendritic Cell HIV-1 Infection by the Green Tea Catechin, Epigallocatechin Gallate

2009 ◽  
Vol 131 ◽  
pp. S72
Author(s):  
Christina Nance ◽  
Edward Siwak ◽  
Andrew Victores ◽  
Melinda D'Souza ◽  
Ashley McMullen ◽  
...  
Keyword(s):  
Dendritic Cell ◽  
Green Tea ◽  
Epigallocatechin Gallate ◽  
Green Tea Catechin ◽  
Hiv 1

HIV-1 Infectivity Inhibited by Binding of the Green Tea Catechin, Epigallocatechin Gallate, to CD4

2007 ◽  
Vol 123 ◽  
pp. S13
Author(s):  
Christina Nance ◽  
Edward Siwak ◽  
Aarthi Ram ◽  
Van Willis ◽  
Susan Westerfield ◽  
...  
Keyword(s):  
Green Tea ◽  
Epigallocatechin Gallate ◽  
Green Tea Catechin ◽  
Hiv 1
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