Mycolic acids are an important component of cellular wall in Mycobacterium tuberculosis. CmaA1, one of the mycolic acid cyclopropane synthases which is responsible for cis-cyclopropanation at the distal position of α-mycolates. It has been experimentally shown that over-expression of the protein CmaA1 makes the bacteria resistant to hydrogen peroxide, suggesting that the cyclopropanation at the distal positions may be an important adaptation of M. tuberculosis against oxidative stress. In this study, Computer Aided Drug Designing approach was employed by considering CmaA1 as target. Three small molecules i.e a1, a2 and a3) were found to be interacting with the active site of the CmaA1 with the highest binding affinity -10.17, -10.17, and -10.12 respectively