Design, Synthesis of Sulfadiazine and Sulfisoxazole Guanidine Derivatives as Promising Anti-TB agents: An in-silico and in-vitro Approach

Guanidine’s are physiologically active compounds which exhibit a variety of activities like antidiabetic,
antimicrobial, antiviral, anticancer, antibiotic and anti-inflammatory etc. Guanidine is similar to the
structure of imide urea, So the chemistry and properties of the guanidines are resembles with imide
urea. The wide range of pharmacological and biological activities makes guanidine as one of the
attractive pharmacophores. The presence of the -CN3 group in guanidine compounds makes them to
have efficient affinity towards various substituent’s with wide range of biochemical activities. In the
present study, novel Sulfadiazine/Sulfisoxazole guanidine derivatives were synthesized and
characterized by FT-IR, LCMS and NMR spectral studies. The synthesized compounds were
screened for anti-TB activity and Molecular docking study with InhA proteins was carried out. The
molecule docking studies of ligands and protein were determined by GLIDE .The activity was ranked
on the basis of docking score. It was found that compounds with electron donating groups exhibited
superior activity.