Computed molecular surface electrostatic potentials of two groups of reverse transcriptase inhibitors: Relationships to anti-HIV-1 activities

2001 ◽  
Vol 83 (3-4) ◽  
pp. 115-121 ◽  
Author(s):  
Oscar Galvez Gonzalez ◽  
Jane S. Murray ◽  
Zenaida Peralta-Inga ◽  
Peter Politzer
Keyword(s):  
Reverse Transcriptase ◽  
Electrostatic Potentials ◽  
Molecular Surface ◽  
Reverse Transcriptase Inhibitors ◽  
Surface Electrostatic Potentials ◽  
Anti Hiv ◽  
Hiv 1

scholarly journals Fullerene Derivatives of Nucleoside HIV Reverse Transcriptase Inhibitors—In Silico Activity Prediction

2018 ◽  
Vol 19 (10) ◽  
pp. 3231 ◽  
Author(s):  
Aleksandra Dąbrowska ◽  
Tomasz Pieńko ◽  
Przemysław Taciak ◽  
Katarzyna Wiktorska ◽  
Zdzisław Chilmonczyk ◽  
...  
Keyword(s):  
Reverse Transcriptase ◽  
Hiv Reverse Transcriptase ◽  
Reverse Transcriptase Inhibitors ◽  
Activity Prediction ◽  
Hiv Therapy ◽  
C20 Fullerene ◽  
Derivatives Of ◽  
Anti Hiv ◽  
Similar Affinity ◽  
Hiv 1

Here we present new derivatives of nucleoside reverse transcriptase inhibitors with a C20 fullerene. The computational chemistry methods used in this study evaluate affinity of designed compounds towards the HIV-1 reverse transcriptase (RT) binding site and select the most active ones. The best of the designed compounds have superior or similar affinity to RT active site in comparison to most active test compounds, including drugs used in anti-HIV therapy.

Synthesis and Anti-HIV Evaluation of Novel 1,2,4-triazole Derivatives as Potential Non-nucleoside HIV-1 Reverse Transcriptase Inhibitors

2012 ◽  
Vol 10 (1) ◽  
pp. 27-34
Author(s):  
Zhenyu Li ◽  
Yuan Cao ◽  
Peng Zhan ◽  
Christophe Pannecouque ◽  
Jan Balzarini ◽  
...  
Keyword(s):  
Reverse Transcriptase ◽  
Reverse Transcriptase Inhibitors ◽  
Triazole Derivatives ◽  
Anti Hiv ◽  
Hiv 1

Non-nucleoside HIV-1 reverse transcriptase inhibitors. Part 11: Structural modulations of diaryltriazines with potent anti-HIV activity

2008 ◽  
Vol 43 (6) ◽  
pp. 1230-1236 ◽  
Author(s):  
Yuan-Zhen Xiong ◽  
Fen-Er Chen ◽  
Jan Balzarini ◽  
Erik De Clercq ◽  
Christophe Pannecouque
Keyword(s):  
Reverse Transcriptase ◽  
Reverse Transcriptase Inhibitors ◽  
Anti Hiv ◽  
Hiv 1

ChemInform Abstract: Non-Nucleoside HIV-1 Reverse Transcriptase Inhibitors. Part 11. Structural Modulations of Diaryltriazines with Potent anti-HIV Activity.

ChemInform ◽  
2008 ◽  
Vol 39 (40) ◽  
Author(s):  
Yuan-Zhen Xiong ◽  
Fen-Er Chen ◽  
Jan Balzarini ◽  
Erik De Clerq ◽  
Christophe Pannecouque
Keyword(s):  
Reverse Transcriptase ◽  
Reverse Transcriptase Inhibitors ◽  
Anti Hiv ◽  
Hiv 1

scholarly journals Synthesis, Anti-HIV Activity, and Metabolic Stability of New Alkenyldiarylmethane HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitors

2005 ◽  
Vol 48 (19) ◽  
pp. 6140-6155 ◽  
Author(s):  
Bo-Liang Deng ◽  
Tracy L. Hartman ◽  
Robert W. Buckheit, ◽  
Christophe Pannecouque ◽  
Erik De Clercq ◽  
...  
Keyword(s):  
Reverse Transcriptase ◽  
Metabolic Stability ◽  
Reverse Transcriptase Inhibitors ◽  
Nucleoside Reverse Transcriptase Inhibitors ◽  
Anti Hiv ◽  
Hiv 1
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