Background: With the increase of resistance rates among many pathogenic bacterial species,
this led to a huge public health problem; the ongoing need for the development of new antibiotics
that target new pathways is obvious. As such, the MetAP is an attractive target for the development of
new antimicrobials, because it is involved in the protein processing in bacteria.
Objective: To screen the potential MetAP of Mycobacterium tuberculosis inhibitor by in silico virtual
screening of ZINC database and evaluate the best potential lead molecule by in vitro studies.
Results and Conclusion: In this research, we used the FlexX program to screen collections of chemical
compounds against the protein target. Before performing the molecular docking, FlexX was validated
by tow tests to determine the reproducibility of docking program. After the virtual screening,
nine chemical compounds of the top hits predicted were purchased and evaluated in vitro for their antibacterial
activities against Mycobacterium smegmatis, using the paper disc diffusion method. Among
the studied compounds, only the compound ZINC04785369 inhibited the bacterial growth and could
be promising antimycobacterial agents. All these may provide something useful for the development
of the potent inhibitors.