scholarly journals Comparative Quantitative Structure−Activity Relationship Studies on Anti-HIV Drugs. (Chem. Rev.1999,99, 3525−3601. Published on the Web November 17, 1999).

2002 ◽  
Vol 102 (9) ◽  
pp. 3213-3213
Author(s):  
Rajni Garg ◽  
Satya P. Gupta ◽  
Hua Gao ◽  
Mekapati Suresh Babu ◽  
Asim Kumar Debnath ◽  
...  
Keyword(s):  
Quantitative Structure Activity Relationship ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Quantitative Structure ◽  
Structure Activity ◽  
Hiv Drugs ◽  
Anti Hiv ◽  
The Web

Comparative Quantitative Structure−Activity Relationship Studies on Anti-HIV Drugs

1999 ◽  
Vol 99 (12) ◽  
pp. 3525-3602 ◽  
Author(s):  
Rajni Garg ◽  
Satya P. Gupta ◽  
Hua Gao ◽  
Mekapati Suresh Babu ◽  
Asim Kumar Debnath ◽  
...  
Keyword(s):  
Quantitative Structure Activity Relationship ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Quantitative Structure ◽  
Structure Activity ◽  
Hiv Drugs ◽  
Anti Hiv

ChemInform Abstract: Comparative Quantitative Structure-Activity Relationship Studies on Anti-HIV Drugs

ChemInform ◽  
2010 ◽  
Vol 31 (6) ◽  
pp. no-no
Author(s):  
Rajni Garg ◽  
Satya P. Gupta ◽  
Hua Gao ◽  
Mekapati Suresh Babu ◽  
Asim Kumar Debnath ◽  
...  
Keyword(s):  
Quantitative Structure Activity Relationship ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Quantitative Structure ◽  
Structure Activity ◽  
Hiv Drugs ◽  
Anti Hiv

scholarly journals STUDY ON ANTI-HIV ACTIVITY OF DIARYLANILINE DERIVATIVES USING QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP (QSAR)

2013 ◽  
Vol 13 (2) ◽  
pp. 129-135 ◽  
Author(s):  
Ihsanul Arief ◽  
Ria Armunanto ◽  
Bambang Setiaji
Keyword(s):  
Density Functional ◽  
Quantitative Structure Activity Relationship ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Quantitative Structure ◽  
Multilinear Regression ◽  
Dft Methods ◽  
Structure Activity ◽  
Parameterized Model ◽  
Anti Hiv

Study on anti-HIV activity of diarylaniline derivative compounds by using quantitative structure-activity relationship (QSAR) has been done. The compounds structure and their anti-HIV activities were obtained from literature. Molecular and electronic parameters were calculated by Austin Model 1 (AM1), Parameterized Model 3 (PM3), Hartree-Fock (HF), and density functional theory (DFT) methods. QSAR analysis was performed using multilinear regression method. The result shows that HF method can produce the best model as follows:log EC50 = 46.418 + (99.360 × qC4) - (67.189 × qC9) - (278.869 × qC15) + (782.466 × qC19) - (127.463 × qO7)n = 20; r2 = 0.815; SEE = 0.393; Fcal/Ftab = 4.185; PRESS = 2.160Those model can predict a good inhibitory activity (log EC50) value of -0.3359 to compound N1-(4′-Cyanophenyl)-5-(4″-cyanovinyl-2″,6″-dimethyl-phenoxy)-4-hydroxyethylbenzene-1,2-diamine).

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