Abstract—Inhibition of leukotriene biosynthesis has been extensively studied as a potential for the development of novel therapies for inflammation, respiratory diseases and, in particular, for asthma. We have designed specific functional inhibitors against 5-Lipoxygenase (5-LOX) using several virtual screening techniques like Homology modeling, MD simulations, Docking and Pharmacophore studies. We have identified 6 analogues of novel 5-LOX inhibitors (IC50 < 19 nM) using pharmacophore models and docking studies and their drug like properties were evaluated. These 6 compounds can be taken for further study including synthesis.

Index Terms—5-Lipoxygenase; Autodock; Docking; Molecular dynamics; Pharmacophore.

Sukesh Kalva is with SRM University, Kattankulatur, Tamil Nadu, India. (corresponding author, phone: 9941452601; e-mail: Sukesh.kalva@ ktr.srmuniv.ac.in).
S Vadivelan is with GVK Biosciences, Nungambakkam, India.( Phone: (91) 44 6629 3001; Fax: (91) 44-6629 3199; E-mail: vadivelan@gvkbio.com).
Sarma A. R. P. Jagarlapudi is with GVK Biosciences, Nungambakkam, India.

Cite: Sukesh Kalva , S Vadivelan, Sarma A. R. P. Jagarlapudi, "Discovery of Novel 5-lox Inhibitors: Pharmacophore Design Homology and Docking Studies," International Journal of Bioscience, Biochemistry and Bioinformatics vol. 1, no. 1, pp. 10-15, 2011.