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International Journal of Virology
  Year: 2007 | Volume: 3 | Issue: 1 | Page No.: 19-27
DOI: 10.3923/ijv.2007.19.27
QSAR Analysis of HIV-1 Reverse Transcriptase Inhibitory 5-Alkyl-2- [(Aryl and Alkyloxylcarbonylmethyl) Thio]-6- (1-Napthylmethyl) Pyrimidin-4 (3H)-Ones
C. Karthikeyan , Dengale Santosh , N.S. Hari Narayana Moorthy and Piyush Trivedi

Abstract:
QSAR analysis of a novel set of HIV-1 reverse transcriptase inhibitors of S-DABO series was investigated by using QuaSAR descriptors of MOE. The MMFF94 force field with root mean square gradient of 0.01 kcal mol-1 Å was used to energy minimize the compounds. Correlation between reported biological activity values and QuaSAR descriptors was established by multiple linear regression analysis method. The generated correlations were found to be statistically significant and exhibited good predictive power. The results obtained from the QSAR study reveal that substituents with a permanent dipole and electron-releasing capacity will increase the HIV-1 RT binding affinity of S-DABO derivatives. The findings of the study suggest that HIV-1 inhibitory activity of S-DABO derivatives is dependent on the electronic properties and shape of the molecules.
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How to cite this article:

C. Karthikeyan , Dengale Santosh , N.S. Hari Narayana Moorthy and Piyush Trivedi , 2007. QSAR Analysis of HIV-1 Reverse Transcriptase Inhibitory 5-Alkyl-2- [(Aryl and Alkyloxylcarbonylmethyl) Thio]-6- (1-Napthylmethyl) Pyrimidin-4 (3H)-Ones. International Journal of Virology, 3: 19-27.

DOI: 10.3923/ijv.2007.19.27

URL: https://scialert.net/abstract/?doi=ijv.2007.19.27

 
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