The world is facing the problem of tuberculosis. In accounts for approximately one third of the global incidence of TB (Goble Tuberculosis Report, 2018, World Health Organization). Each year, 1.8 million new cases (the global incidence is 6.4 million), which lead to 1.3 million deaths (range, 1.2¿1.4 million) among HIV-negative people, and there were an additional 300 000 deaths from TB (range, 266 000¿335 000) among HIV-positive people, although the prevalence of HIV among new cases in India is just 3-4 percent compared with global average of 9 percent. Although the existing method of curing is very effective against TB, the length of treatment, the toxicity and the potential for drug-drug interactions are factors that highlight the need for new anti-TB drugs. New drugs are urgently needed because TB remains a global health priority, as around nine million new cases are estimated each year with almost two million fatalities. The libraries of different substituted synthetic and natural molecules were scanned against this cell wall proteins, DNA, enzymes by using different computational programs, studying their SAR properties and other molecular structural based properties.