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Abstract: Particle swarm optimization (PSO ) is an effective & reliable evolutionary based approach .

The activation of fatty acids by Acyl-Co A Synthetase is the need of de novo lipid biosynthesis, fatty acid catabolism and remodeling of biological membranes. The computation results indicate that new algorithms demonstrate their superiority respectively on both convergence and diversity.

Key words: docking, homology modeling, leprosy, M.leprae, molecular, molecular dynamics, ramachandran plot.

Therefore identification of the novel drug target and potent drug can be helpful in better prevention of the disease. Alter, (2008) Leprosy as a genetic model for susceptibility to common infectious disease, Hum Genet 2. (1999)Health Policy and Planning; 14(2): 89-102, Oxford University Press.

The bacteria have developed resistance against many of the drugs available in the market.

Halgamuge "Self-Organizing Hierarchical Particle Swarm Optimizer With Time Varying Acceleration Coefficients" IEEE Trans. A well organized research comprising of analogue based drug design and molecular dynamics plays a major role in obtaining the lead molecules. Black PN, Di Russo CC, Metzger AK, Heimert TL (1992): Cloning, sequencing, and expression of the fad D gene of Escherichia coli encoding Acyl coenzyme A Synthetase.

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The proposed four ports cylinder was simulated and parameters such as ports sizes, loads and pressures are varied during the simulation.