Compounds containing CN3 group in the open chain or in the ring system
are called guanidine and are found in a variety of compounds occurring in natural and
synthetic sources. The presence of the guanidine sub unit in the synthesized compound
helps to enhance the activity, which helps to interact with the various organisms
through the hydrogen bonding. A series of Guanidinyl benzothiazole derivatives were
synthesized and evaluated for their anti-mycobacterial activity and cytotoxicity. Antimycobacterial
study indicates that all the synthesized compounds were appreciably
active and many of the compounds have MIC values lower than the standard drugs.
The guanidinyl group and electron donating group present in the molecule interacts
with the microorganism and arrest the further growth, so synthesized compounds
exhibit the excellent activity and some of the compound has MIC at 1.6 μg/mL. In
order to rationalize the biological results of the synthesized compounds, molecular
docking studies with enoyl acyl carrier reductase (InhA) of M. tuberculosis were
performed and the synthesized compounds shows the remarkable docking score -5.85
to -9.27, which can be compared with the standard drug Isoniazid (INH) with -6.61 as
docking score.
Keywords: Acetone, Activity, Alamar Blue Assay, Ammonium thiocyanate,
Anti-TB, Benzothiazole, Benzoyl Chloride, Docking, DprE1, Guanidine, in-vitro,
in-silico, InhA, IC50 value, Mercuric chloride, MIC, Pyrazinamide, Reflux,
Triethyl amine, Tuberculosis , Tyrosine.