Development of 'S', 'N' Heterocycles as Antimycobacterials Targeting Fatty Acid Biosynthesis.
BACKGROUND
Mycobacterium tuberculosis is a causative organism of tuberculosis, which is the most deadly disease after cancer in the current decade. The development of multidrug and broadly drug- resistant strains makes the tuberculosis problem more and more critical. In the last 40 years, only one molecule is added to the treatment regimen. Generally, drug design and development programs are targeted proteins whose function is known to be essential to the bacterial cell.


OBJECTIVES
Here are the development of 'S', 'N' heterocycles as antimycobacterials targeting fatty acid biosynthesis are reported.


MATERIALS AND METHODS
In the present communication, rational development of anti-mycobacterial agent's targeting fatty acid biosynthesis has been done by integrating the pocket modeling and virtual analysis.


RESULTS
The identified potential 33 lead compounds were synthesized, characterized by physicochemical and spectroscopic methods like IR, NMR spectroscopy and further screened for antimycobacterial activity using isoniazid as standard. All the designed compounds have shown profound antimycobacterial activity.


CONCLUSION
In this present communication, we found that 3c, 3f, 3l and 4k molecules had expressive desirable biological activity and specific interactions with fatty acids. Further optimization of these leads is necessary for the development of potential antimycobacterial drug candidates having fewer side effects.
['Dahiwade|Lalita K|LK|', 'Rochlani|Sneha P|SP|', 'Choudhari|Prafulla B|PB|', 'Dhavale|Rakesh P|RP|', 'More|Harinath N|HN|']
D000995:Antitubercular Agents D001426:Bacterial Proteins D003198:Computer Simulation D015195:Drug Design D005227:Fatty Acids D007538:Isoniazid D050356:Lipid Metabolism D062105:Molecular Docking Simulation D009169:Mycobacterium tuberculosis D014376:Tuberculosis
heterocyclic Mycobacterium tuberculosis isoniazid Antitubercular InhA molecular docking