Two Dimensional Quantitative Structure Activity Relationship Prediction and Synthesis of Bioactive Newer 1,2,4-Triazole-Isoniazid Conjugates

1,2,4-triazole and Schiff bases are active against antimicrobial and antitubercular activities. Isoniazid itself reacts as antitubercular drug. The two dimensional quantitative structure activity relationship study was used to predicts the antitubercular activity of the synthetic derivatives. Two dimensional quantitative structure activity relationship generated model using partial least squares regression method which predict the statistically significant r(2)=0.8940, q(2)=0.8197, pred_r(2)=0.6675 and F test=50.6234. Two dimensional quantitative structure activity relationship generated equation of pMICs is denoted the antitubercular activity correlated with thermodynamic descriptor XAMostHydrophilic. Pharmacokinetic properties absorption, distribution, metabolism, excretion were also predicted which useful for design the derivatives. A designed derivatives of 1-(3-(substitutidene)amino)-5-(2,3,4,5-tetrafluoro-6-substitutedphenyl)-4H-1,2,4-triazol-4yl)-3-(pyridin-4-yl)urea (B1-B10) were synthesized and spectrally evicted from fourier-transform infrared spectroscopy, 1H Nuclear magnetic resonance, C-13 Nuclear magnetic resonance and Mass spectra as well as biologically evaluated against antitubercular and antimicrobial activities. From the biologically evaluated derivatives, compounds B2, B4, B7, B8, B9 and B10 were found to be active against the different antimicrobial species. Where as compound B2 also active against antitubercular species.