Receptor-Independent 4D-QSAR Analysis of a Set of Norstatine Derived Inhibitors of HIV-1 Protease

2003 ◽  
Vol 43 (4) ◽  
pp. 1297-1307 ◽  
Author(s):  
Craig L. Senese ◽  
A. J. Hopfinger
Keyword(s):  
Qsar Analysis ◽  
Hiv 1

Receptor-Independent 4D-QSAR Analysis of a Set of Norstatine Derived Inhibitors HIV-1 Protease.

ChemInform ◽  
2003 ◽  
Vol 34 (42) ◽  
Author(s):  
Craig L. Senese ◽  
A. J. Hopfinger
Keyword(s):  
Qsar Analysis ◽  
Hiv 1

Computational Studies of 3D-QSAR on a Highly Active Series of Naturally Occurring Nonnucleoside Inhibitors of HIV-1 RT (NNRTI)

2020 ◽  
pp. 2050036
Author(s):  
Waqar Hussain ◽  
Arshia Majeed ◽  
Ammara Akhtar ◽  
Nouman Rasool
Keyword(s):  
Three Dimensional ◽  
3D Qsar ◽  
Qsar Modeling ◽  
Qsar Analysis ◽  
Qsar Studies ◽  
Highly Active ◽  
Naturally Occurring ◽  
Zinc Database ◽  
Immunodeficiency Syndrome ◽  
Hiv 1

HIV is one of the deadliest viruses in the history of mankind, it is the root cause of Acquired Immunodeficiency Syndrome (AIDS) around the world. Despite the fact that the antiviral therapy used against HIV-1 infection is effective, there is also rapidly growing cases of drug resistance in the infected patient along with different severe side effects. Therefore, it is of dire and immediate need to find novel inhibitors against HIV-1 Reverse Transcriptase (RT). In this study, the potential of naturally occurring compounds extracted from plants has been studied with the help of Three-Dimensional-Quantitative Structure–Activity Relationships (3D-QSAR) analysis. A total of 20 compounds, retrieved from a ZINC database, were analyzed with the help of 3D-QSAR to identify a potential inhibitor of HIV-1 RT. By evaluation of seven models generated with the help of MIF analysis and 3D-QSAR modeling, compound 3 (ZINC ID: ZINC20759448) was observed to outperform others by showing optimal results in QSAR studies. This compound has also been biologically validated by a recently reported previous study. Thus, this compound can be used as a potential drug against infection caused by HIV-1, specifically AIDS.

scholarly journals QSAR Analysis of HIV-1 Reverse Transcriptase Inhibitory 5-Alkyl-2- [(Aryl and Alkyloxylcarbonylmethyl) Thio]-6- (1-Napthylmethyl) Pyrimidin-4 (3H)-Ones

2006 ◽  
Vol 3 (1) ◽  
pp. 19-27 ◽  
Author(s):  
C. Karthikeyan . ◽  
Dengale Santosh . ◽  
N.S. Hari Narayana M . ◽  
Piyush Trivedi .
Keyword(s):  
Reverse Transcriptase ◽  
Qsar Analysis ◽  
Hiv 1

SMILES-based optimal descriptors: QSAR analysis of fullerene-based HIV-1 PR inhibitors by means of balance of correlations

2009 ◽  
pp. NA-NA ◽  
Author(s):  
Andrey A. Toropov ◽  
Alla P. Toropova ◽  
Emilio Benfenati ◽  
Danuta Leszczynska ◽  
Jerzy Leszczynski
Keyword(s):  
Qsar Analysis ◽  
Balance Of Correlations ◽  
Hiv 1
Sign in / Sign up

Export Citation Format

Share Document